| MolName | N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide |
| MolecularFormula | C20H20N2O5 |
| Smiles | O=C(/C(/NC(c1ccco1)=O)=C/c(cc1)cc2c1OCO2)N1CCCCC1 |
| InChI | InChI=1S/C20H20N2O5/c23-19(17-5-4-10-25-17)21-15(20(24)22-8-2-1-3-9-22)11-14-6-7-16-18(12-14)27-13-26-16/h4-7,10-12H,1-3,8-9,13H2,(H,21,23) |
| InChIK | NNRPDDHQDVZHGH-UHFFFAOYSA-N |
| TotalMolweight | 368.388 |
| Molweight | 368.388 |
| MonoisotopicMass | 368.137223 |
| CLogP | 3.4147 |
| CLogS | -4.353 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 280.24 |
| Relative PSA | 0.26834 |
| PolarSurfaceArea | 81.01 |
| Druglikeness | 3.3882 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide | 2 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide