TL;DR: 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]-N-phenylacetamide (CAS 1009496-61-0) is a chemical compound with molecular formula C20H21N3O3 and molecular weight 351.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
Also Known As: 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]-N-phenylacetamide, 2-(1-(4-methylbenzoyl)-3-oxopiperazin-2-yl)-N-phenylacetamide, 2-{1-[(4-methylphenyl)carbonyl]-3-oxopiperazin-2-yl}-N-phenylacetamide
| Molecular Formula | C20H21N3O3 |
| Molecular Weight | 351.1583 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.1583 Da |
| Heavy Atoms | 26 |
| Complexity | 522.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)NC3=CC=CC=C3 |
| InChIKey | ZWKWWKWXBWDIMT-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]-N-phenylacetamide. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]-N-phenylacetamide. Following Lipinski's Rule of Five, 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]-N-phenylacetamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]-N-phenylacetamide is 1009496-61-0.
The molecular formula of 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]-N-phenylacetamide is C20H21N3O3.
The molecular weight of 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]-N-phenylacetamide is 351.1583 g/mol.
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