(E)-3-(furan-2-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
Formula:C18H20N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(furan-2-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide |
| MolecularFormula | C18H20N2O2 |
| Smiles | O=C(/C=C/c1ccco1)Nc(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C18H20N2O2/c21-18(11-10-17-5-4-14-22-17)19-15-6-8-16(9-7-15)20-12-2-1-3-13-20/h4-11,14H,1-3,12-13H2,(H,19,21) |
| InChIK | QXRMMOFIFUSVFI-UHFFFAOYSA-N |
| TotalMolweight | 296.369 |
| Molweight | 296.369 |
| MonoisotopicMass | 296.152478 |
| CLogP | 3.158 |
| CLogS | -4.172 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 244.02 |
| Relative PSA | 0.17277 |
| PolarSurfaceArea | 45.48 |
| Druglikeness | 0.092193 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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