N-{1-(1-benzoylpiperidin-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-benzoylpiperidin-4-yl)-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-(1-benzoylpiperidin-4-yl)-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V024-0749 |
| Compound Name: | N-{1-(1-benzoylpiperidin-4-yl)-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C25 H27 N3 O5 |
| Smiles: | C=CCNC(C(C1CCN(CC1)C(c1ccccc1)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.261 |
| logD: | 2.261 |
| logSw: | -2.8979 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.294 |
| InChI Key: | FUANTBRBHMSRLP-QFIPXVFZSA-N |