rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(phenylacetyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(phenylacetyl)piperidin-4-yl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(phenylacetyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5259 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(phenylacetyl)piperidin-4-yl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C27 H29 F3 N4 O2 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)C(Cc1ccccc1)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2679 |
| logD: | 3.2679 |
| logSw: | -3.4141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.665 |
| InChI Key: | BLMCTUVWVILZIR-XZOQPEGZSA-N |