N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C20H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C20H21N3O3 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C20H21N3O3/c24-20(16-6-9-18-19(12-16)26-14-25-18)22-21-13-15-4-7-17(8-5-15)23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11,14H2,(H,22,24) |
| InChIK | AOUQXFJLHPOXFU-UHFFFAOYSA-N |
| TotalMolweight | 351.405 |
| Molweight | 351.405 |
| MonoisotopicMass | 351.158292 |
| CLogP | 4.146 |
| CLogS | -5.424 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 272.85 |
| Relative PSA | 0.21829 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 4.2118 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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