1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-cyclopentylethan-1-one
Chemical Structure Depiction of
1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-cyclopentylethan-1-one
1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-cyclopentylethan-1-one
Compound characteristics
| Compound ID: | S517-0931 |
| Compound Name: | 1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-cyclopentylethan-1-one |
| Molecular Weight: | 366.51 |
| Molecular Formula: | C22 H30 N4 O |
| Smiles: | C1CCC(C1)CC(N1CCC(CC1)Cc1nncn1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.272 |
| logD: | 3.2718 |
| logSw: | -3.2024 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.978 |
| InChI Key: | IEBBODKFSAZFPG-UHFFFAOYSA-N |