N-(4-methoxyphenyl)-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
N-(4-methoxyphenyl)-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S564-0848 |
| Compound Name: | N-(4-methoxyphenyl)-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C21 H24 N6 O2 |
| Smiles: | COc1ccc(cc1)NC(N1CCC(CC1)Cc1nnc(c2ccncc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5742 |
| logD: | 2.5509 |
| logSw: | -2.5681 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.183 |
| InChI Key: | XHHCCFHZJGYCPT-UHFFFAOYSA-N |