TL;DR: 2-{1-[(4-chlorophenyl)carbonyl]-3-oxopiperazin-2-yl}-N-(4-ethoxyphenyl)acetamide (CAS 1008958-04-0) is a chemical compound with molecular formula C21H22ClN3O4 and molecular weight 415.12988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]-N-(4-ethoxyphenyl)acetamide
Also Known As: BAS 11133199, 2-{1-[(4-chlorophenyl)carbonyl]-3-oxopiperazin-2-yl}-N-(4-ethoxyphenyl)acetamide, 2-[1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]-N-(4-ethoxyphenyl)acetamide, 2-(1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl)-N-(4-ethoxyphenyl)acetamide, 2-[1-(4-Chloro-benzoyl)-3-oxo-piperazin-2-yl]-N-(4-ethoxy-phenyl)-acetamide
| Molecular Formula | C21H22ClN3O4 |
| Molecular Weight | 415.12988 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.12988 Da |
| Heavy Atoms | 29 |
| Complexity | 586.0 |
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | RSQKKNPJKLBGPF-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{1-[(4-chlorophenyl)carbonyl]-3-oxopiperazin-2-yl}-N-(4-ethoxyphenyl)acetamide. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{1-[(4-chlorophenyl)carbonyl]-3-oxopiperazin-2-yl}-N-(4-ethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-{1-[(4-chlorophenyl)carbonyl]-3-oxopiperazin-2-yl}-N-(4-ethoxyphenyl)acetamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{1-[(4-chlorophenyl)carbonyl]-3-oxopiperazin-2-yl}-N-(4-ethoxyphenyl)acetamide is 1008958-04-0.
The molecular formula of 2-{1-[(4-chlorophenyl)carbonyl]-3-oxopiperazin-2-yl}-N-(4-ethoxyphenyl)acetamide is C21H22ClN3O4.
The molecular weight of 2-{1-[(4-chlorophenyl)carbonyl]-3-oxopiperazin-2-yl}-N-(4-ethoxyphenyl)acetamide is 415.12988 g/mol.
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