rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-4-[1-(3-methylbutanoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-4-[1-(3-methylbutanoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-4-[1-(3-methylbutanoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Compound characteristics
Compound ID: | S954-5393 |
Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-4-[1-(3-methylbutanoyl)piperidin-4-yl]pyrrolidine-3-carboxamide |
Molecular Weight: | 478.56 |
Molecular Formula: | C25 H33 F3 N4 O2 |
Smiles: | CC(C)CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1C(N(C)C)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
Stereo: | RELATIVE |
logP: | 2.9788 |
logD: | 2.9788 |
logSw: | -3.156 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 53.102 |
InChI Key: | SJOFCROLEMNQRO-LEWJYISDSA-N |