rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5205 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 492.54 |
| Molecular Formula: | C25 H31 F3 N4 O3 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)C(C1CCOCC1)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2671 |
| logD: | 2.2671 |
| logSw: | -2.981 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.293 |
| InChI Key: | YKAHVPAGQSEYRC-LEWJYISDSA-N |