rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5267 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 489.54 |
| Molecular Formula: | C25 H30 F3 N5 O2 |
| Smiles: | Cc1c(CN2CCC(CC2)[C@@H]2CN(C[C@H]2C(NC)=O)c2ccc(C#N)c(c2)C(F)(F)F)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7103 |
| logD: | 0.7888 |
| logSw: | -3.2415 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.314 |
| InChI Key: | HXEPXNKRAOMVBR-FCHUYYIVSA-N |