Ethyl 1-methyl-4-oxopiperidine-3-carboxylate
TL;DR: Ethyl 1-methyl-4-oxopiperidine-3-carboxylate (CAS 37673-68-0) is a chemical compound with molecular formula C9H15NO3 and molecular weight 185.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-4-oxopiperidine-3-carboxylate
Also Known As: ethyl 1-methyl-4-oxopiperidine-3-carboxylate, 1-METHYL-4-OXO-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER, 1-methyl-3-carboethoxy-4-piperidone, ethyl1-methyl-4-oxopiperidine-3-carboxylate, ethyl 1-methyl-4-oxo-3-piperidinecarboxylate
| Molecular Formula | C9H15NO3 |
|---|---|
| Molecular Weight | 185.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.1052 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 37673-68-0 |
|---|---|
| SMILES | CCOC(=O)C1CN(CCC1=O)C |
| InChIKey | XZTPUNHHNWXMLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-methyl-4-oxopiperidine-3-carboxylate (CAS 37673-68-0), with molecular formula C9H15NO3 and molecular weight 185.11 g/mol. IUPAC: ethyl 1-methyl-4-oxopiperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-methyl-4-oxopiperidine-3-carboxylate
Property Insights of Ethyl 1-methyl-4-oxopiperidine-3-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-methyl-4-oxopiperidine-3-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 1-methyl-4-oxopiperidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-methyl-4-oxopiperidine-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 Ethyl 1-methyl-4-oxopiperidine-3-carboxylate?
The CAS number of Ethyl 1-methyl-4-oxopiperidine-3-carboxylate is 37673-68-0.
What is the molecular formula of Ethyl 1-methyl-4-oxopiperidine-3-carboxylate?
The molecular formula of Ethyl 1-methyl-4-oxopiperidine-3-carboxylate is C9H15NO3.
What is the molecular weight of Ethyl 1-methyl-4-oxopiperidine-3-carboxylate?
The molecular weight of Ethyl 1-methyl-4-oxopiperidine-3-carboxylate is 185.11 g/mol.
Where can I buy Ethyl 1-methyl-4-oxopiperidine-3-carboxylate?
You can request a quote for Ethyl 1-methyl-4-oxopiperidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-methyl-4-oxopiperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-methyl-4-oxopiperidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.