rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[(3-fluoropyridin-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[(3-fluoropyridin-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[(3-fluoropyridin-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0213 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[(3-fluoropyridin-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 489.52 |
| Molecular Formula: | C25 H27 F4 N5 O |
| Smiles: | CNC([C@@H]1CN(Cc2ccncc2F)C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8002 |
| logD: | 2.7122 |
| logSw: | -3.0876 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.794 |
| InChI Key: | FQXQHCISRNPYQY-LEWJYISDSA-N |