![1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane structure](/static/products/5240/524059-57-2.webp)
1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane
TL;DR: 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane (CAS 524059-57-2) is a chemical compound with molecular formula C18H27N3O and molecular weight 301.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
Also Known As: 1-{[1-(3-pyridinylmethyl)-3-piperidinyl]carbonyl}azepane, azepan-1-yl-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone, AN-153/43309779, azepan-1-yl[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone, 1-[1-(pyridin-3-ylmethyl)piperidine-3-carbonyl]azepane
| Molecular Formula | C18H27N3O |
|---|---|
| Molecular Weight | 301.22 g/mol |
| LogP | 2.6962 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.21542 |
| Heavy Atoms | 22 |
| Complexity | 468.48044 |
Chemical Identifiers
| CAS Number | 524059-57-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2CCCN(C2)CC3=CN=CC=C3 |
Product Overview
1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane (CAS 524059-57-2), with molecular formula C18H27N3O and molecular weight 301.22 g/mol. IUPAC: azepan-1-yl-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone.
Chemical Property Profile of 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane
Property Insights of 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane
The XLogP value of 2.6962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane. With a topological polar surface area (TPSA) of 36.44 Ų, 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane?
The CAS number of 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane is 524059-57-2.
What is the molecular formula of 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane?
The molecular formula of 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane is C18H27N3O.
What is the molecular weight of 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane?
The molecular weight of 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane is 301.22 g/mol.
Where can I buy 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane?
You can request a quote for 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-{[1-(3-Pyridinylmethyl)-3-piperidinyl]carbonyl}azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.