3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester
TL;DR: 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester (CAS 13221-89-1) 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.
methyl 1-methyl-4-oxopiperidine-3-carboxylate
Also Known As: methyl 1-methyl-4-oxopiperidine-3-carboxylate, TimTec1_003900, Pimavanserin Impurity 51, NCIOpen2_004772, 3-Methoxycarbonyl-1-methyl-4-piperidone
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 13221-89-1 |
|---|---|
| SMILES | CN1CCC(=O)C(C1)C(=O)OC |
| InChIKey | BKCOINBLEJIZGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester (CAS 13221-89-1), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: methyl 1-methyl-4-oxopiperidine-3-carboxylate.
Chemical Property Profile of 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester
Property Insights of 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester
The XLogP value of -0.2 indicates that 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.6 Ų, 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester 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 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester?
The CAS number of 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester is 13221-89-1.
What is the molecular formula of 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester?
The molecular formula of 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester is C8H13NO3.
What is the molecular weight of 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester?
The molecular weight of 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester is 171.09 g/mol.
Where can I buy 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester?
You can request a quote for 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.