1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one
1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S564-0529 |
| Compound Name: | 1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | COc1cccc(CC(N2CCC(CC2)Cc2nnc(C3CC3)[nH]2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7511 |
| logD: | 2.7476 |
| logSw: | -3.0857 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.93 |
| InChI Key: | HZYNJLOSHRZURP-UHFFFAOYSA-N |