Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate
TL;DR: Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate (CAS 385382-50-3) is a chemical compound with molecular formula C11H16N4O3 and molecular weight 252.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxylate
Also Known As: ethyl 1-(1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxylate, Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate, Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate #, 1-(1H-[1,2,4]Triazole-3-carbonyl)-piperidine-4-carboxylic acid ethyl ester
| Molecular Formula | C11H16N4O3 |
|---|---|
| Molecular Weight | 252.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.12224 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 385382-50-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)C2=NC=NN2 |
| InChIKey | KHBMJZZUSLMAPP-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate (CAS 385382-50-3), with molecular formula C11H16N4O3 and molecular weight 252.12 g/mol. IUPAC: ethyl 1-(1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate
Property Insights of Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate has 1 hydrogen bond donor(s) and 5 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-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate?
The CAS number of Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate is 385382-50-3.
What is the molecular formula of Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate?
The molecular formula of Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate is C11H16N4O3.
What is the molecular weight of Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate?
The molecular weight of Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate is 252.12 g/mol.
Where can I buy Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate?
You can request a quote for Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.