TL;DR: Piperazine, 1-(3-chlorophenyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)- (CAS 131028-02-9) is a chemical compound with molecular formula C16H20ClN3O2 and molecular weight 321.1244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
Also Known As: Piperazine, 1-(3-chlorophenyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)-, 1-(3-Chlorophenyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)piperazine, AE-641/00600055, 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one, 1-{2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl}-2-pyrrolidinone
| Molecular Formula | C16H20ClN3O2 |
| Molecular Weight | 321.1244 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.1244 Da |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
| SMILES | C1CC(=O)N(C1)CC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl |
| InChIKey | HZWKRHQTTJJKDX-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(3-chlorophenyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)-. With a topological polar surface area (TPSA) of 43.9 Ų, Piperazine, 1-(3-chlorophenyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(3-chlorophenyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)- has 0 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 Piperazine, 1-(3-chlorophenyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)- is 131028-02-9.
The molecular formula of Piperazine, 1-(3-chlorophenyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)- is C16H20ClN3O2.
The molecular weight of Piperazine, 1-(3-chlorophenyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)- is 321.1244 g/mol.
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