1-[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]piperidine-4-carboxamide
Formula:C21H21N2O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
1-[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]piperidine-4-carboxamide |
| MolecularFormula | C21H21N2O2Cl |
| Smiles | NC(C(CC1)CCN1C(/C(/c1ccccc1)=C/c(cccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C21H21ClN2O2/c22-19-9-5-4-8-17(19)14-18(15-6-2-1-3-7-15)21(26)24-12-10-16(11-13-24)20(23)25/h1-9,14,16H,10-13H2,(H2,23,25) |
| InChIK | BIKSEYYBVKNIMO-UHFFFAOYSA-N |
| TotalMolweight | 368.863 |
| Molweight | 368.863 |
| MonoisotopicMass | 368.129155 |
| CLogP | 3.3651 |
| CLogS | -3.989 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 281.51 |
| Relative PSA | 0.1595 |
| PolarSurfaceArea | 63.4 |
| Druglikeness | 6.3019 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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