rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N,N-dimethyl-1-[(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N,N-dimethyl-1-[(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N,N-dimethyl-1-[(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0430 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N,N-dimethyl-1-[(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 490.59 |
| Molecular Formula: | C25 H29 F3 N4 O S |
| Smiles: | CN(C)C([C@@H]1CN(Cc2cccs2)C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4145 |
| logD: | 2.8448 |
| logSw: | -3.6442 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.46 |
| InChI Key: | PQJMSIJYGHLYLC-FCHUYYIVSA-N |