3-Carbethoxy-2-piperidone
TL;DR: 3-Carbethoxy-2-piperidone (CAS 3731-16-6) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxopiperidine-3-carboxylate
Also Known As: 3-Carbethoxy-2-piperidone, Ethyl 2-oxopiperidine-3-carboxylate, 3-Ethoxycarbonyl-2-piperidone, 7-Benzyloxyindole, Ethyl 2-oxo-3-piperidinecarboxylate
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
| Solubility | >25.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 3731-16-6 |
|---|---|
| SMILES | CCOC(=O)C1CCCNC1=O |
| InChIKey | DUMNOWYWTAYLJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Carbethoxy-2-piperidone (CAS 3731-16-6), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: ethyl 2-oxopiperidine-3-carboxylate.
Chemical Property Profile of 3-Carbethoxy-2-piperidone
Property Insights of 3-Carbethoxy-2-piperidone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carbethoxy-2-piperidone. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Carbethoxy-2-piperidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Carbethoxy-2-piperidone has 1 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 3-Carbethoxy-2-piperidone?
The CAS number of 3-Carbethoxy-2-piperidone is 3731-16-6.
What is the molecular formula of 3-Carbethoxy-2-piperidone?
The molecular formula of 3-Carbethoxy-2-piperidone is C8H13NO3.
What is the molecular weight of 3-Carbethoxy-2-piperidone?
The molecular weight of 3-Carbethoxy-2-piperidone is 171.09 g/mol.
Where can I buy 3-Carbethoxy-2-piperidone?
You can request a quote for 3-Carbethoxy-2-piperidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carbethoxy-2-piperidone?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbethoxy-2-piperidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.