rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0288 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 499.58 |
| Molecular Formula: | C27 H32 F3 N5 O |
| Smiles: | Cn1cccc1CN1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC1CC1)=O |
| Stereo: | RELATIVE |
| logP: | 3.69 |
| logD: | 3.1633 |
| logSw: | -3.7761 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.808 |
| InChI Key: | OENNKZTULOKDAD-RPWUZVMVSA-N |