N-[(Z)-benzylideneamino]-2-oxopiperidine-3-carboxamide
Formula:C13H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-benzylideneamino]-2-oxopiperidine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-oxopiperidine-3-carboxamide |
| MolecularFormula | C13H15N3O2 |
| Smiles | O=C(C(CCCN1)C1=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C13H15N3O2/c17-12-11(7-4-8-14-12)13(18)16-15-9-10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,14,17)(H,16,18)/t11-/m1/s1 |
| InChIK | QIQUQVCYBQVNJV-LLVKDONJSA-N |
| TotalMolweight | 245.281 |
| Molweight | 245.281 |
| MonoisotopicMass | 245.116427 |
| CLogP | 1.2282 |
| CLogS | -2.834 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 196.72 |
| Relative PSA | 0.30759 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.2813 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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