N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxopiperidine-3-carboxamide
Formula:C14H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxopiperidine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxopiperidine-3-carboxamide |
| MolecularFormula | C14H15N3O4 |
| Smiles | O=C(C(CCCN1)C1=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C14H15N3O4/c18-13-10(2-1-5-15-13)14(19)17-16-7-9-3-4-11-12(6-9)21-8-20-11/h3-4,6-7,10H,1-2,5,8H2,(H,15,18)(H,17,19)/t10-/m1/s1 |
| InChIK | RJQJNKSJRIFHJC-SNVBAGLBSA-N |
| TotalMolweight | 289.29 |
| Molweight | 289.29 |
| MonoisotopicMass | 289.106257 |
| CLogP | 1.3396 |
| CLogS | -3.545 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 216.98 |
| Relative PSA | 0.37105 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 4.1812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxopiperidine-3-carboxamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxopiperidine-3-carboxamide
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