1-[(4-chlorophenyl)methyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide
Formula:C20H21N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-chlorophenyl)methyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[(4-chlorophenyl)methyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C20H21N4O3Cl |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C2CCN(Cc(cc3)ccc3Cl)CC2)=O)cc1)=O |
| InChI | InChI=1S/C20H21ClN4O3/c21-18-5-1-16(2-6-18)14-24-11-9-17(10-12-24)20(26)23-22-13-15-3-7-19(8-4-15)25(27)28/h1-8,13,17H,9-12,14H2,(H,23,26) |
| InChIK | OFWXTEZWKXXWPE-UHFFFAOYSA-N |
| TotalMolweight | 400.865 |
| Molweight | 400.865 |
| MonoisotopicMass | 400.130218 |
| CLogP | 2.2233 |
| CLogS | -5.009 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 304.18 |
| Relative PSA | 0.23006 |
| PolarSurfaceArea | 90.52 |
| Druglikeness | 4.1693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 1-[(4-chlorophenyl)methyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide | 2 - 1-[(4-chlorophenyl)methyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide
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