TL;DR: [1-(3-Nitrobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CAS 524058-36-4) is a chemical compound with molecular formula C23H26N4O4 and molecular weight 422.1954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(3-nitrobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
Also Known As: [1-(3-nitrobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone, (3-nitrophenyl){3-[(4-phenylpiperazin-1-yl)carbonyl]piperidin-1-yl}methanone, 1-[1-(3-nitrobenzoyl)piperidine-3-carbonyl]-4-phenylpiperazine, 1-{[1-(3-nitrobenzoyl)-3-piperidinyl]carbonyl}-4-phenylpiperazine, [1-(3-NITROBENZOYL)-3-PIPERIDYL](4-PHENYLPIPERAZINO)METHANONE
| Molecular Formula | C23H26N4O4 |
| Molecular Weight | 422.1954 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 89.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.1954 Da |
| Heavy Atoms | 31 |
| Complexity | 652.0 |
| SMILES | C1CC(CN(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=CC=CC=C4 |
| InChIKey | CUMSDOSTSYUQBQ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(3-Nitrobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(3-Nitrobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, [1-(3-Nitrobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has 0 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 [1-(3-Nitrobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is 524058-36-4.
The molecular formula of [1-(3-Nitrobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is C23H26N4O4.
The molecular weight of [1-(3-Nitrobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is 422.1954 g/mol.
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