N-[rel-(3R,4R)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4R)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | S620-1955 |
| Compound Name: | N-[rel-(3R,4R)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 386.5 |
| Molecular Formula: | C20 H30 N6 O2 |
| Smiles: | Cc1nc([C@H]2CCN(Cc3cccn3C)C[C@H]2NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6546 |
| logD: | 0.5512 |
| logSw: | -2.0878 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.637 |
| InChI Key: | NTHCXAGEPRMSSC-MSOLQXFVSA-N |