rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5203 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C25 H29 F3 N4 O2 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)C(C1CC=CC1)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8843 |
| logD: | 2.8843 |
| logSw: | -3.2019 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.75 |
| InChI Key: | KSWAVMGRRFJWHK-LEWJYISDSA-N |