2-[4-(but-2-ynoyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[4-(but-2-ynoyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
2-[4-(but-2-ynoyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | T001-1421 |
| Compound Name: | 2-[4-(but-2-ynoyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C17 H21 N3 O2 |
| Smiles: | CC#CC(N1CCN(CC1)CC(Nc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4325 |
| logD: | 2.4325 |
| logSw: | -2.8302 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.321 |
| InChI Key: | BYCSFBWSMKOTDR-UHFFFAOYSA-N |