N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3,5-dimethoxybenzamide
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | T002-4713 |
| Compound Name: | N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C19 H24 N2 O4 |
| Smiles: | CC#CC(N1CCC(CC1)CNC(c1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.507 |
| logD: | 2.507 |
| logSw: | -2.6239 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.132 |
| InChI Key: | MZKQSTVTDLKNOJ-UHFFFAOYSA-N |