N-[rel-(3R,4R)-1-[(2-cyanophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-1-[(2-cyanophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
N-[rel-(3R,4R)-1-[(2-cyanophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S620-1807 |
| Compound Name: | N-[rel-(3R,4R)-1-[(2-cyanophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide |
| Molecular Weight: | 364.45 |
| Molecular Formula: | C20 H24 N6 O |
| Smiles: | Cc1nc([C@H]2CCN(Cc3ccccc3C#N)C[C@H]2NC(C2CC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4772 |
| logD: | 1.4251 |
| logSw: | -2.4744 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.218 |
| InChI Key: | PDNKFSDOUHSTKI-MSOLQXFVSA-N |