methyl 4-({[1-(but-2-ynoyl)piperidin-4-yl]methyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({[1-(but-2-ynoyl)piperidin-4-yl]methyl}carbamoyl)benzoate
methyl 4-({[1-(but-2-ynoyl)piperidin-4-yl]methyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | T002-4702 |
| Compound Name: | methyl 4-({[1-(but-2-ynoyl)piperidin-4-yl]methyl}carbamoyl)benzoate |
| Molecular Weight: | 342.39 |
| Molecular Formula: | C19 H22 N2 O4 |
| Smiles: | CC#CC(N1CCC(CC1)CNC(c1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3323 |
| logD: | 2.3323 |
| logSw: | -2.5385 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.218 |
| InChI Key: | DYNLLIBOCPWFIH-UHFFFAOYSA-N |