(1-benzylpiperidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C26H33N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(1-benzylpiperidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is a drug-like molecule.
| MolName | (1-benzylpiperidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C26H33N3O |
| Smiles | O=C(C1CCN(Cc2ccccc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C26H33N3O/c30-26(25-13-16-28(17-14-25)22-24-10-5-2-6-11-24)29-20-18-27(19-21-29)15-7-12-23-8-3-1-4-9-23/h1-12,25H,13-22H2 |
| InChIK | BGZKXLXTOYBVFH-UHFFFAOYSA-N |
| TotalMolweight | 403.568 |
| Molweight | 403.568 |
| MonoisotopicMass | 403.262362 |
| CLogP | 3.8864 |
| CLogS | -2.76 |
| H Acceptors | 4 |
| TotalSurfaceArea | 331.27 |
| Relative PSA | 0.071513 |
| PolarSurfaceArea | 26.79 |
| Druglikeness | 10.861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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