N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3-methoxybenzamide
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | T002-4694 |
| Compound Name: | N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3-methoxybenzamide |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C18 H22 N2 O3 |
| Smiles: | CC#CC(N1CCC(CC1)CNC(c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3037 |
| logD: | 2.3037 |
| logSw: | -2.7622 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.588 |
| InChI Key: | RUEMOSFIJAROAY-UHFFFAOYSA-N |