N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-2-chlorobenzamide
Chemical Structure Depiction of
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-2-chlorobenzamide
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-2-chlorobenzamide
Compound characteristics
| Compound ID: | T002-4853 |
| Compound Name: | N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-2-chlorobenzamide |
| Molecular Weight: | 318.8 |
| Molecular Formula: | C17 H19 Cl N2 O2 |
| Smiles: | CC#CC(N1CCC(CC1)CNC(c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9945 |
| logD: | 2.9945 |
| logSw: | -3.5752 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.044 |
| InChI Key: | RBSJKKKSFVPVPN-UHFFFAOYSA-N |