(E)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one
Formula:C22H25NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one is a drug-like molecule.
| MolName | (E)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one |
| MolecularFormula | C22H25NO |
| Smiles | O=C(CC(c1ccccc1)N1CCCCC1)/C=C/c1ccccc1 |
| InChI | InChI=1S/C22H25NO/c24-21(15-14-19-10-4-1-5-11-19)18-22(20-12-6-2-7-13-20)23-16-8-3-9-17-23/h1-2,4-7,10-15,22H,3,8-9,16-18H2/t22-/m0/s1 |
| InChIK | GMHXCYBKRIQGOF-QFIPXVFZSA-N |
| TotalMolweight | 319.447 |
| Molweight | 319.447 |
| MonoisotopicMass | 319.193614 |
| CLogP | 4.331 |
| CLogS | -3.889 |
| H Acceptors | 2 |
| TotalSurfaceArea | 269.13 |
| Relative PSA | 0.061643 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 1.9783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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