N-benzyl-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
N-benzyl-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S564-0832 |
| Compound Name: | N-benzyl-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide |
| Molecular Weight: | 376.46 |
| Molecular Formula: | C21 H24 N6 O |
| Smiles: | C1CN(CCC1Cc1nnc(c2ccncc2)[nH]1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2194 |
| logD: | 2.196 |
| logSw: | -2.1615 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.962 |
| InChI Key: | KWTIXFWQZNOMFR-UHFFFAOYSA-N |