TL;DR: N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide (CAS 1240640-10-1) is a chemical compound with molecular formula C20H27FN4O and molecular weight 358.2169 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
Also Known As: N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide, N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-acetamide
| Molecular Formula | C20H27FN4O |
| Molecular Weight | 358.2169 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.2169 Da |
| Heavy Atoms | 26 |
| Complexity | 523.0 |
| SMILES | CN(C(=O)CN1CCN(CC1)C2=CC=C(C=C2)F)C3(CCCCC3)C#N |
| InChIKey | YGUSARNHHFKQEK-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide. With a topological polar surface area (TPSA) of 50.6 Ų, N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide 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 N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide is 1240640-10-1.
The molecular formula of N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide is C20H27FN4O.
The molecular weight of N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide is 358.2169 g/mol.
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