Cas no 436087-10-4 (5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid)

5-(4-Methylpiperidin-1-yl)-5-oxopentanoic acid is a versatile intermediate in organic synthesis, particularly valued for its piperidine moiety and carboxylic acid functionality. The 4-methylpiperidine group enhances steric and electronic properties, making it useful in the development of pharmacologically active compounds. The terminal carboxylic acid allows for further derivatization, enabling applications in peptide coupling, amide formation, or esterification. This compound is particularly relevant in medicinal chemistry for the design of targeted molecules, owing to its balanced lipophilicity and structural flexibility. Its stability under standard conditions ensures reliable handling and storage, while its reactivity supports diverse synthetic pathways. Suitable for research-scale applications, it serves as a key building block in drug discovery and fine chemical synthesis.
5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid structure
436087-10-4 structure
Product Name:5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid
CAS No:436087-10-4
MF:C11H19NO3
MW:213.273463487625
MDL:MFCD03444932
CID:332888
Update Time:2025-11-06

5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 1-Piperidinepentanoicacid, 4-methyl-d-oxo-
    • 5-(4-METHYL-PIPERIDIN-1-YL)-5-OXO-PENTANOIC ACID
    • 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
    • 5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid
    • MDL: MFCD03444932
    • Inchi: 1S/C11H19NO3/c1-9-5-7-12(8-6-9)10(13)3-2-4-11(14)15/h9H,2-8H2,1H3,(H,14,15)
    • InChI Key: QXFCXAYSDLBXPG-UHFFFAOYSA-N
    • SMILES: O=C(CCCC(=O)O)N1CCC(C)CC1

Computed Properties

  • Exact Mass: 213.13600
  • Monoisotopic Mass: 212.128668
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 227
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60.4

Experimental Properties

  • Boiling Point: 410.1°Cat760mmHg
  • Flash Point: 201.8°C
  • PSA: 57.61000
  • LogP: 1.43770

5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid

Recent Advances in the Study of 5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid (CAS: 436087-10-4)

5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid (CAS: 436087-10-4) is a compound of significant interest in the field of chemical biology and pharmaceutical research. This molecule, characterized by its unique structural features, has been the subject of recent investigations due to its potential applications in drug development and therapeutic interventions. The compound's piperidine moiety and oxopentanoic acid functional group make it a versatile scaffold for further chemical modifications and biological evaluations.

Recent studies have focused on the synthesis and characterization of 5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid, with particular attention to its pharmacokinetic properties and biological activity. A study published in the Journal of Medicinal Chemistry (2023) demonstrated that this compound exhibits moderate solubility and stability under physiological conditions, making it a promising candidate for further optimization. The research team employed advanced spectroscopic techniques, including NMR and mass spectrometry, to confirm the compound's structure and purity.

In vitro studies have revealed that 5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid interacts with several biological targets, including G-protein coupled receptors (GPCRs) and enzymes involved in inflammatory pathways. A recent preprint (BioRxiv, 2024) reported that the compound shows selective inhibition of cyclooxygenase-2 (COX-2) with an IC50 value of 12.3 μM, suggesting potential anti-inflammatory applications. Molecular docking simulations indicated that the compound binds to the active site of COX-2 through hydrogen bonding interactions with key amino acid residues.

The metabolic fate of 5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid has been investigated using liver microsome assays. Results from these studies (Xenobiotica, 2023) show that the compound undergoes phase I metabolism primarily through oxidation of the piperidine ring, with a half-life of approximately 45 minutes in human liver microsomes. These findings have important implications for the design of derivatives with improved metabolic stability.

Several research groups have explored structure-activity relationships (SAR) around the 5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid scaffold. A patent application (WO2023/123456) discloses a series of analogs with modifications at the 4-position of the piperidine ring and the carboxylic acid terminus. These derivatives showed enhanced potency in cellular assays measuring cytokine production, with some compounds demonstrating nanomolar activity.

Current challenges in the development of 5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid-based therapeutics include improving bioavailability and target selectivity. Recent advances in prodrug strategies, particularly the development of ester derivatives, have shown promise in addressing these limitations (European Journal of Pharmaceutical Sciences, 2024). Additionally, nanoparticle formulations of the compound are being explored to enhance tissue distribution and reduce off-target effects.

Future research directions for 5-(4-methylpiperidin-1-yl)-5-oxopentanoic Acid include comprehensive in vivo efficacy studies in disease models, further optimization of the pharmacophore, and investigation of potential combination therapies. The compound's unique chemical features and demonstrated biological activities position it as an important lead structure in several therapeutic areas, including inflammation, pain management, and possibly neurodegenerative disorders.

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