N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylpropanamide
Formula:C16H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylpropanamide |
| MolecularFormula | C16H21N3O3 |
| Smiles | O=C(CCN1CCCCC1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C16H21N3O3/c20-16(6-9-19-7-2-1-3-8-19)18-17-11-13-4-5-14-15(10-13)22-12-21-14/h4-5,10-11H,1-3,6-9,12H2,(H,18,20) |
| InChIK | LPOIXOYXIFXPKE-UHFFFAOYSA-N |
| TotalMolweight | 303.361 |
| Molweight | 303.361 |
| MonoisotopicMass | 303.158292 |
| CLogP | 2.7501 |
| CLogS | -3.611 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 240.61 |
| Relative PSA | 0.24754 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 5.1628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylpropanamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylpropanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off