rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5245 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 487.52 |
| Molecular Formula: | C25 H28 F3 N5 O2 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)C(c1cccn1C)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0466 |
| logD: | 3.0466 |
| logSw: | -3.2277 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.609 |
| InChI Key: | ZASZSVMFKPTGJG-VQTJNVASSA-N |