Cas no 344779-09-5 (1-(Piperidin-4-yl)-1,4-diazepan-5-one)

1-(Piperidin-4-yl)-1,4-diazepan-5-one structure
344779-09-5 structure
Product Name:1-(Piperidin-4-yl)-1,4-diazepan-5-one
CAS No:344779-09-5
MF:C10H19N3O
MW:197.277362108231
CID:302569
PubChem ID:22722014
Update Time:2025-07-18

1-(Piperidin-4-yl)-1,4-diazepan-5-one Chemical and Physical Properties

Names and Identifiers

    • 1-(Piperidin-4-yl)-1,4-diazepan-5-one
    • 1-piperidin-4-yl-1,4-diazepan-5-one
    • 5H-1,4-Diazepin-5-one,hexahydro-1-(4-piperidinyl)-
    • hexahydro-1-(4-piperidinyl)-5H-1,4-Diazepin-5-one
    • 1-(piperidin-4-yl)-[1,4]diazepan-5-one
    • 4-(5-oxo-[1,4]diazepan-1-yl)-piperidine
    • AC1Q6ES8
    • AG-F-17978
    • AK-77520
    • CTK4H2468
    • KB-64079
    • SureCN1905800
    • 1-piperidin-4-yl-[1,4]diazepan-5-one
    • SCHEMBL1905800
    • DTXSID40627795
    • FT-0756875
    • SB41825
    • A898303
    • 344779-09-5
    • AKOS012303644
    • SJFGTKYMEANZJW-UHFFFAOYSA-N
    • DB-069017
    • Inchi: 1S/C10H19N3O/c14-10-3-7-13(8-6-12-10)9-1-4-11-5-2-9/h9,11H,1-8H2,(H,12,14)
    • InChI Key: SJFGTKYMEANZJW-UHFFFAOYSA-N
    • SMILES: O=C1CCN(CCN1)C1CCNCC1

Computed Properties

  • Exact Mass: 197.15300
  • Monoisotopic Mass: 197.152812238g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 202
  • 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: -0.6
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • Density: 1.072
  • Boiling Point: 384.88 °C at 760 mmHg
  • Flash Point: 186.569 °C
  • PSA: 44.37000
  • LogP: 0.15580

1-(Piperidin-4-yl)-1,4-diazepan-5-one Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 1-(Piperidin-4-yl)-1,4-diazepan-5-one

1-(Piperidin-4-yl)-1,4-diazepan-5-one (CAS No. 344779-09-5): An Overview of Its Structure, Synthesis, and Biological Applications

1-(Piperidin-4-yl)-1,4-diazepan-5-one (CAS No. 344779-09-5) is a compound that has garnered significant attention in the field of medicinal chemistry due to its unique structure and potential therapeutic applications. This compound, also known as Pipamperone, belongs to the class of piperidine derivatives and has been extensively studied for its pharmacological properties.

The molecular structure of 1-(Piperidin-4-yl)-1,4-diazepan-5-one is characterized by a piperidine ring fused with a diazepane ring, forming a complex and versatile scaffold. The presence of these rings contributes to its high chemical stability and biological activity. The compound's IUPAC name is 1-(piperidin-4-yl)-1,4-diazepan-5-one, which accurately reflects its structural composition.

In terms of synthesis, 1-(Piperidin-4-yl)-1,4-diazepan-5-one can be prepared through various methods. One common approach involves the condensation of 4-piperidone with an appropriate amine derivative, followed by cyclization to form the diazepane ring. Recent advancements in synthetic chemistry have led to the development of more efficient and scalable methods, making the compound more accessible for both research and industrial applications.

The biological activity of 1-(Piperidin-4-yl)-1,4-diazepan-5-one has been extensively investigated in various preclinical studies. It has shown promising results as a potential therapeutic agent for several neurological disorders. For instance, studies have demonstrated its ability to modulate neurotransmitter systems, particularly serotonin and dopamine receptors. This makes it a candidate for the treatment of conditions such as depression, anxiety, and schizophrenia.

In addition to its central nervous system (CNS) effects, 1-(Piperidin-4-yl)-1,4-diazepan-5-one has also been explored for its anti-inflammatory properties. Research has shown that it can inhibit the production of pro-inflammatory cytokines and reduce oxidative stress in cellular models. These findings suggest that the compound may have potential applications in the treatment of inflammatory diseases such as arthritis and multiple sclerosis.

Clinical trials are currently underway to evaluate the safety and efficacy of 1-(Piperidin-4-yl)-1,4-diazepan-5-one in human subjects. Preliminary results from phase I trials have indicated that the compound is well-tolerated at therapeutic doses with minimal side effects. These findings are encouraging and pave the way for further clinical development.

The pharmacokinetic properties of 1-(Piperidin-4-yl)-1,4-diazepan-5-one have also been studied in detail. It exhibits good oral bioavailability and a favorable pharmacokinetic profile, which are essential characteristics for a successful drug candidate. The compound is rapidly absorbed from the gastrointestinal tract and distributed throughout the body, with a half-life that allows for once-daily dosing regimens.

In conclusion, 1-(Piperidin-4-yl)-1,4-diazepan-5-one (CAS No. 344779-09-5) is a promising compound with a wide range of potential therapeutic applications. Its unique molecular structure and favorable pharmacological properties make it an attractive candidate for further research and development in the field of medicinal chemistry. As ongoing studies continue to uncover new insights into its mechanisms of action and therapeutic potential, it is likely that this compound will play an increasingly important role in the treatment of various medical conditions.

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