rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-4-{1-[(5-methylpyridin-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-4-{1-[(5-methylpyridin-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-4-{1-[(5-methylpyridin-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5396 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-4-{1-[(5-methylpyridin-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 499.58 |
| Molecular Formula: | C27 H32 F3 N5 O |
| Smiles: | Cc1ccc(CN2CCC(CC2)[C@@H]2CN(C[C@H]2C(N(C)C)=O)c2ccc(C#N)c(c2)C(F)(F)F)nc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2131 |
| logD: | 2.8189 |
| logSw: | -3.2153 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.074 |
| InChI Key: | LZDGXUDINYMBBN-BJKOFHAPSA-N |