N-benzyl-4-{rel-(3R,4R)-4-carbamoyl-1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}piperidine-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{rel-(3R,4R)-4-carbamoyl-1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}piperidine-1-carboxamide
N-benzyl-4-{rel-(3R,4R)-4-carbamoyl-1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S954-5054 |
| Compound Name: | N-benzyl-4-{rel-(3R,4R)-4-carbamoyl-1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}piperidine-1-carboxamide |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C26 H28 F3 N5 O2 |
| Smiles: | C1CN(CCC1[C@@H]1CN(C[C@H]1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)C(NCc1ccccc1)=O |
| Stereo: | RELATIVE |
| logP: | 2.7954 |
| logD: | 2.7954 |
| logSw: | -3.4667 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.559 |
| InChI Key: | GJAHQNAQRIQTPA-FCHUYYIVSA-N |