2-cyclopentyl-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-cyclopentyl-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethan-1-one
2-cyclopentyl-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S564-0759 |
| Compound Name: | 2-cyclopentyl-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 353.47 |
| Molecular Formula: | C20 H27 N5 O |
| Smiles: | C1CCC(C1)CC(N1CCC(CC1)Cc1nnc(c2ccncc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5791 |
| logD: | 2.5557 |
| logSw: | -2.5219 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.849 |
| InChI Key: | HRIAGMSVEMYENZ-UHFFFAOYSA-N |