N-benzyl-4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
N-benzyl-4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S517-0991 |
| Compound Name: | N-benzyl-4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C23 H27 N5 O |
| Smiles: | C1CN(CCC1Cc1nncn1Cc1ccccc1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9123 |
| logD: | 2.9122 |
| logSw: | -3.1915 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.091 |
| InChI Key: | IBTUPUHHAHIDQK-UHFFFAOYSA-N |