Cas no 4007-79-8 (5,5-Dimethylpiperidin-2-one)

5,5-Dimethylpiperidin-2-one structure
5,5-Dimethylpiperidin-2-one structure
Product Name:5,5-Dimethylpiperidin-2-one
CAS No:4007-79-8
MF:C7H13NO
MW:127.184221982956
MDL:MFCD18909209
CID:1032487
PubChem ID:10479660
Update Time:2025-11-02

5,5-Dimethylpiperidin-2-one Chemical and Physical Properties

Names and Identifiers

    • 5,5-Dimethylpiperidin-2-one
    • 5-dimethyl-2-piperidone
    • AKOS006349714
    • MFCD18909209
    • 4007-79-8
    • DTXSID00440588
    • DA-06148
    • EN300-152268
    • 5,5-dimethyl-piperidin-2-one
    • 5,5-dimethyl-2-piperidone
    • LZDUSDGRALPEID-UHFFFAOYSA-N
    • SB41585
    • Z1203731224
    • SCHEMBL249184
    • CS-0309024
    • F2147-5456
    • 2-Piperidinone, 5,5-dimethyl-
    • MDL: MFCD18909209
    • Inchi: 1S/C7H13NO/c1-7(2)4-3-6(9)8-5-7/h3-5H2,1-2H3,(H,8,9)
    • InChI Key: LZDUSDGRALPEID-UHFFFAOYSA-N
    • SMILES: O=C1CCC(C)(C)CN1

Computed Properties

  • Exact Mass: 127.09979
  • Monoisotopic Mass: 127.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 129
  • 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
  • XLogP3: 0.8
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 29.1

5,5-Dimethylpiperidin-2-one Pricemore >>

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Additional information on 5,5-Dimethylpiperidin-2-one

Recent Advances in the Study of 5,5-Dimethylpiperidin-2-one (CAS: 4007-79-8) in Chemical Biology and Pharmaceutical Research

5,5-Dimethylpiperidin-2-one (CAS: 4007-79-8) is a heterocyclic compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its piperidin-2-one core with two methyl substituents at the 5-position, has been explored for its unique chemical properties and biological activities. Recent studies have focused on its synthesis, structural modifications, and potential therapeutic applications, making it a promising candidate for drug development.

One of the key areas of research involving 5,5-Dimethylpiperidin-2-one is its role as a building block in the synthesis of more complex molecules. Researchers have developed novel synthetic routes to produce this compound with high yield and purity, enabling its use in further chemical transformations. For instance, a recent study published in the Journal of Medicinal Chemistry demonstrated an efficient one-pot synthesis of 5,5-Dimethylpiperidin-2-one using a catalytic system that minimizes byproduct formation. This advancement is critical for scaling up production and ensuring reproducibility in industrial settings.

In addition to its synthetic utility, 5,5-Dimethylpiperidin-2-one has shown promising biological activities. Preliminary in vitro studies have revealed its potential as an inhibitor of certain enzymes involved in inflammatory pathways. A 2023 study in Bioorganic & Medicinal Chemistry Letters reported that derivatives of 5,5-Dimethylpiperidin-2-one exhibited significant inhibitory effects on cyclooxygenase-2 (COX-2), an enzyme implicated in inflammation and pain. These findings suggest that this compound could serve as a lead structure for developing new anti-inflammatory drugs.

Another exciting development is the exploration of 5,5-Dimethylpiperidin-2-one in neuroscience research. Recent investigations have highlighted its ability to modulate neurotransmitter receptors, particularly those involved in GABAergic signaling. A study published in Neuropharmacology found that certain analogs of 5,5-Dimethylpiperidin-2-one enhanced GABA receptor activity, which could have implications for treating anxiety and epilepsy. These results underscore the compound's versatility and potential as a scaffold for designing CNS-targeted therapeutics.

Despite these promising findings, challenges remain in optimizing the pharmacokinetic and pharmacodynamic properties of 5,5-Dimethylpiperidin-2-one derivatives. Researchers are actively working on structure-activity relationship (SAR) studies to identify modifications that improve bioavailability and reduce off-target effects. Computational modeling and high-throughput screening are being employed to accelerate this process, as evidenced by a recent publication in the Journal of Chemical Information and Modeling.

In conclusion, 5,5-Dimethylpiperidin-2-one (CAS: 4007-79-8) represents a valuable compound in chemical biology and pharmaceutical research. Its synthetic accessibility, diverse biological activities, and potential for structural optimization make it a compelling subject for ongoing and future studies. As research progresses, this compound may pave the way for new therapeutic agents targeting inflammation, neurological disorders, and other medical conditions.

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