N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3,4-diethoxybenzamide
Chemical Structure Depiction of
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3,4-diethoxybenzamide
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3,4-diethoxybenzamide
Compound characteristics
| Compound ID: | T002-4619 |
| Compound Name: | N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3,4-diethoxybenzamide |
| Molecular Weight: | 372.46 |
| Molecular Formula: | C21 H28 N2 O4 |
| Smiles: | CCOc1ccc(cc1OCC)C(NCC1CCN(CC1)C(C#CC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.357 |
| logD: | 2.357 |
| logSw: | -2.7862 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.465 |
| InChI Key: | AZLRSXPLNMNYME-UHFFFAOYSA-N |