TL;DR: 1-{2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl}piperidine-4-carboxamide (CAS 587849-44-3) is a chemical compound with molecular formula C17H18F3N3O3 and molecular weight 369.13004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperidine-4-carboxamide
Also Known As: 1-{2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl}piperidine-4-carboxamide, 1-(2,5-dioxo-1-(4-(trifluoromethyl)phenyl)pyrrolidin-3-yl)piperidine-4-carboxamide, 1-[2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperidine-4-carboxamide
| Molecular Formula | C17H18F3N3O3 |
| Molecular Weight | 369.13004 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.13004 Da |
| Heavy Atoms | 26 |
| Complexity | 580.0 |
| SMILES | C1CN(CCC1C(=O)N)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(F)(F)F |
| InChIKey | IUOMBVUSPSCTKH-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl}piperidine-4-carboxamide. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl}piperidine-4-carboxamide. Following Lipinski's Rule of Five, 1-{2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl}piperidine-4-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-{2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl}piperidine-4-carboxamide is 587849-44-3.
The molecular formula of 1-{2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl}piperidine-4-carboxamide is C17H18F3N3O3.
The molecular weight of 1-{2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl}piperidine-4-carboxamide is 369.13004 g/mol.
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