TL;DR: N-(3-chlorophenyl)-2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide (CAS 1025062-94-5) is a chemical compound with molecular formula C21H23ClN4O5 and molecular weight 446.1357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-chlorophenyl)-2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
Also Known As: N-(3-chlorophenyl)-2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide, N-(3-chlorophenyl)-2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide, N-(3-chlorophenyl)-2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-oxo-1-piperazinecarboxamide, 2-[(2,5-Dimethoxy-phenylcarbamoyl)-methyl]-3-oxo-piperazine-1-carboxylic acid (3-chloro-phenyl)-amide, 2-[(2,5-Dimethoxy-phenylcarbamoyl)-methyl]-3-oxo-piperazine-1-carboxylic acid (3-chloro-phenyl)-amide
| Molecular Formula | C21H23ClN4O5 |
| Molecular Weight | 446.1357 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.1357 Da |
| Heavy Atoms | 31 |
| Complexity | 651.0 |
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)CC2C(=O)NCCN2C(=O)NC3=CC(=CC=C3)Cl |
| InChIKey | IJTPCSBOHGJHDM-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chlorophenyl)-2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chlorophenyl)-2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(3-chlorophenyl)-2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide is 1025062-94-5.
The molecular formula of N-(3-chlorophenyl)-2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide is C21H23ClN4O5.
The molecular weight of N-(3-chlorophenyl)-2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide is 446.1357 g/mol.
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