Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate
TL;DR: Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate (CAS 349404-04-2) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate
Also Known As: BAS 03213920, ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate, ethyl 1-[(4-methylphenyl)carbonyl]piperidine-4-carboxylate, Isonipecotic acid, N-(4-methylbenzoyl)-, ethyl ester, 1-(4-Methyl-benzoyl)-piperidine-4-carboxylic acid ethyl ester
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 349404-04-2 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C |
| InChIKey | KMGFOPNOABPXRV-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate (CAS 349404-04-2), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate
Property Insights of Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate 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 Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate?
The CAS number of Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate is 349404-04-2.
What is the molecular formula of Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate?
The molecular formula of Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate is C16H21NO3.
What is the molecular weight of Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate?
The molecular weight of Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate is 275.15 g/mol.
Where can I buy Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate?
You can request a quote for Ethyl 1-(4-methylbenzoyl)piperidine-4-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-(4-methylbenzoyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(4-methylbenzoyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.