N-{1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V023-1866 |
| Compound Name: | N-{1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C26 H29 N3 O5 |
| Smiles: | Cc1cccc(c1)C(N1CCC(CC1)C(C(NCC=C)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6531 |
| logD: | 2.6531 |
| logSw: | -2.9026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.294 |
| InChI Key: | GOIMQDMPMUXGMY-QHCPKHFHSA-N |