4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)-
TL;DR: 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)- (CAS 52336-92-2) is a chemical compound with molecular formula C21H22N2O and molecular weight 318.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(1H-indol-3-ylmethyl)piperidin-4-one
Also Known As: N-Benzyl-3-(3'-indolyl)methyl-4-piperidone, 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)-, 1-benzyl-3-(1H-indol-3-ylmethyl)piperidin-4-one, 1-Benzyl-3-[(1H-indol-3-yl)methyl]piperidin-4-one, 1-Benzyl-3-(1H-indol-3-ylmethyl)-piperidin-4-one
| Molecular Formula | C21H22N2O |
|---|---|
| Molecular Weight | 318.17 g/mol |
| LogP | 3.8016 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.17322 |
| Heavy Atoms | 24 |
| Complexity | 837.1807 |
Chemical Identifiers
| CAS Number | 52336-92-2 |
|---|---|
| SMILES | C1CN(CC(C1=O)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4 |
Product Overview
4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)- (CAS 52336-92-2), with molecular formula C21H22N2O and molecular weight 318.17 g/mol. IUPAC: 1-benzyl-3-(1H-indol-3-ylmethyl)piperidin-4-one.
Chemical Property Profile of 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)-
Property Insights of 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)-
The XLogP value of 3.8016 indicates that 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.1 Ų, 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)- has 1 hydrogen bond donor(s) and 2 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 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)-?
The CAS number of 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)- is 52336-92-2.
What is the molecular formula of 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)-?
The molecular formula of 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)- is C21H22N2O.
What is the molecular weight of 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)-?
The molecular weight of 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)- is 318.17 g/mol.
Where can I buy 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)-?
You can request a quote for 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinone, 1-benzyl-3-(1H-indol-3-ylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.