(3E,5E)-3,5-dibenzylidene-1-(3-piperidin-1-ylpropanoyl)piperidin-4-one
Formula:C27H30N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E,5E)-3,5-dibenzylidene-1-(3-piperidin-1-ylpropanoyl)piperidin-4-one is a drug-like molecule.
| MolName | (3E,5E)-3,5-dibenzylidene-1-(3-piperidin-1-ylpropanoyl)piperidin-4-one |
| MolecularFormula | C27H30N2O2 |
| Smiles | O=C(CCN1CCCCC1)N(C/C(/C1=O)=C\c2ccccc2)C/C1=C\c1ccccc1 |
| InChI | InChI=1S/C27H30N2O2/c30-26(14-17-28-15-8-3-9-16-28)29-20-24(18-22-10-4-1-5-11-22)27(31)25(21-29)19-23-12-6-2-7-13-23/h1-2,4-7,10-13,18-19H,3,8-9,14-17,20-21H2 |
| InChIK | FQEUNMBWPCOHCF-UHFFFAOYSA-N |
| TotalMolweight | 414.547 |
| Molweight | 414.547 |
| MonoisotopicMass | 414.230728 |
| CLogP | 4.721 |
| CLogS | -3.834 |
| H Acceptors | 4 |
| TotalSurfaceArea | 335.38 |
| Relative PSA | 0.098933 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | 4.0811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 13 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (3E,5E)-3,5-dibenzylidene-1-(3-piperidin-1-ylpropanoyl)piperidin-4-one | 2 - (3E,5E)-3,5-dibenzylidene-1-(3-piperidin-1-ylpropanoyl)piperidin-4-one
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