(E)-3-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
Formula:C21H23N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide |
| MolecularFormula | C21H23N2OCl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc1ccc(CN2CCCCC2)cc1 |
| InChI | InChI=1S/C21H23ClN2O/c22-19-9-4-17(5-10-19)8-13-21(25)23-20-11-6-18(7-12-20)16-24-14-2-1-3-15-24/h4-13H,1-3,14-16H2,(H,23,25) |
| InChIK | GUGWDNBEHLSAHR-UHFFFAOYSA-N |
| TotalMolweight | 354.88 |
| Molweight | 354.88 |
| MonoisotopicMass | 354.14989 |
| CLogP | 4.4982 |
| CLogS | -4.704 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 283.51 |
| Relative PSA | 0.098938 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 0.75221 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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