| MolName | N-[(Z)-1-(furan-2-yl)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]benzamide |
| MolecularFormula | C24H29N3O3 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1ccco1)N(CC1)CCC1N1CCCCC1 |
| InChI | InChI=1S/C24H29N3O3/c28-23(19-8-3-1-4-9-19)25-22(18-21-10-7-17-30-21)24(29)27-15-11-20(12-16-27)26-13-5-2-6-14-26/h1,3-4,7-10,17-18,20H,2,5-6,11-16H2,(H,25,28) |
| InChIK | SODFXXCZNYVHDW-UHFFFAOYSA-N |
| TotalMolweight | 407.512 |
| Molweight | 407.512 |
| MonoisotopicMass | 407.220892 |
| CLogP | 3.8044 |
| CLogS | -3.829 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 324.32 |
| Relative PSA | 0.18115 |
| PolarSurfaceArea | 65.79 |
| Druglikeness | 4.3646 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1-(furan-2-yl)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(furan-2-yl)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]benzamide