TL;DR: 3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]octahydro-2(1H)-quinoxalinone (CAS 1008928-57-1) is a chemical compound with molecular formula C20H28N4O2 and molecular weight 356.22122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
Also Known As: 3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]octahydro-2(1H)-quinoxalinone, 3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]octahydroquinoxalin-2(1H)-one, 3-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)octahydroquinoxalin-2(1H)-one, 3-[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]OCTAHYDRO-2(1H)-QUINOXALINONE, 4-[2-oxo-2-(4-phenylpiperazinyl)ethyl]-2,5-diazabicyclo[4.4.0]decan-3-one
| Molecular Formula | C20H28N4O2 |
| Molecular Weight | 356.22122 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.22122 Da |
| Heavy Atoms | 26 |
| Complexity | 512.0 |
| SMILES | C1CCC2C(C1)NC(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4 |
| InChIKey | UWBQHZKARFQCON-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]octahydro-2(1H)-quinoxalinone. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]octahydro-2(1H)-quinoxalinone. Following Lipinski's Rule of Five, 3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]octahydro-2(1H)-quinoxalinone 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 3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]octahydro-2(1H)-quinoxalinone is 1008928-57-1.
The molecular formula of 3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]octahydro-2(1H)-quinoxalinone is C20H28N4O2.
The molecular weight of 3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]octahydro-2(1H)-quinoxalinone is 356.22122 g/mol.
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