1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide
TL;DR: 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide (CAS 444151-92-2) is a chemical compound with molecular formula C21H19ClN2O3S and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
Also Known As: 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide, 5T-0204, 1-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide, 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-N-[(thiophen-2-yl)methyl]piperidine-4-carboxamide, 1-(3-chloro-1,4-dioxo-naphthalen-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
| Molecular Formula | C21H19ClN2O3S |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 3.6059 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.0805 |
| Heavy Atoms | 28 |
| Complexity | 959.79016 |
Chemical Identifiers
| CAS Number | 444151-92-2 |
|---|---|
| SMILES | C1CN(CCC1C(=O)NCC2=CC=CS2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl |
Product Overview
1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide (CAS 444151-92-2), with molecular formula C21H19ClN2O3S and molecular weight 414.08 g/mol. IUPAC: 1-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
Chemical Property Profile of 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide
Property Insights of 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide
The XLogP value of 3.6059 indicates that 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide. Following Lipinski's Rule of Five, 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide 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 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide?
The CAS number of 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide is 444151-92-2.
What is the molecular formula of 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide?
The molecular formula of 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide is C21H19ClN2O3S.
What is the molecular weight of 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide?
The molecular weight of 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide is 414.08 g/mol.
Where can I buy 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide?
You can request a quote for 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-N-(2-thienylmethyl)-4-piperidinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.