N-[(Z)-(4-chlorophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
Formula:C13H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide |
| MolecularFormula | C13H14N3O2Cl |
| Smiles | O=C(C(CCCN1)C1=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C13H14ClN3O2/c14-10-5-3-9(4-6-10)8-16-17-13(19)11-2-1-7-15-12(11)18/h3-6,8,11H,1-2,7H2,(H,15,18)(H,17,19)/t11-/m1/s1 |
| InChIK | ZTUVSMKXXNGKMH-LLVKDONJSA-N |
| TotalMolweight | 279.726 |
| Molweight | 279.726 |
| MonoisotopicMass | 279.077454 |
| CLogP | 1.8342 |
| CLogS | -3.57 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 212.14 |
| Relative PSA | 0.28524 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.3104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
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