1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide
Formula:C15H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide |
| MolecularFormula | C15H20N2O |
| Smiles | NC(C1CCN(C/C=C/c2ccccc2)CC1)=O |
| InChI | InChI=1S/C15H20N2O/c16-15(18)14-8-11-17(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12H2,(H2,16,18) |
| InChIK | FFGHPJZMTMJYDF-UHFFFAOYSA-N |
| TotalMolweight | 244.337 |
| Molweight | 244.337 |
| MonoisotopicMass | 244.157563 |
| CLogP | 1.7719 |
| CLogS | -2.314 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 204.13 |
| Relative PSA | 0.15608 |
| PolarSurfaceArea | 46.33 |
| Druglikeness | 6.9117 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide | 2 - 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide
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