[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
Formula:C25H32N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone is a drug-like molecule.
| MolName | [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone |
| MolecularFormula | C25H32N4O |
| Smiles | O=C(C1CCN(Cc2cnccc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C25H32N4O/c30-25(24-10-14-28(15-11-24)21-23-8-4-12-26-20-23)29-18-16-27(17-19-29)13-5-9-22-6-2-1-3-7-22/h1-9,12,20,24H,10-11,13-19,21H2 |
| InChIK | ICBRZOLDWDNUAE-UHFFFAOYSA-N |
| TotalMolweight | 404.556 |
| Molweight | 404.556 |
| MonoisotopicMass | 404.257611 |
| CLogP | 2.8855 |
| CLogS | -1.965 |
| H Acceptors | 5 |
| TotalSurfaceArea | 330.03 |
| Relative PSA | 0.10502 |
| PolarSurfaceArea | 39.68 |
| Druglikeness | 10.861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 2 |
| AlkylAmines | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone | 2 - [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
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