N-[[(Z)-benzylideneamino]carbamoyl]-2-piperidin-1-ylacetamide
Formula:C15H20N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[[(Z)-benzylideneamino]carbamoyl]-2-piperidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[[(Z)-benzylideneamino]carbamoyl]-2-piperidin-1-ylacetamide |
| MolecularFormula | C15H20N4O2 |
| Smiles | O=C(CN1CCCCC1)NC(N/N=C\c1ccccc1)=O |
| InChI | InChI=1S/C15H20N4O2/c20-14(12-19-9-5-2-6-10-19)17-15(21)18-16-11-13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H2,17,18,20,21) |
| InChIK | KWTBTTLDKKBCDL-UHFFFAOYSA-N |
| TotalMolweight | 288.35 |
| Molweight | 288.35 |
| MonoisotopicMass | 288.158626 |
| CLogP | 1.97 |
| CLogS | -3.091 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 235.8 |
| Relative PSA | 0.27167 |
| PolarSurfaceArea | 73.8 |
| Druglikeness | 5.2545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[[(Z)-benzylideneamino]carbamoyl]-2-piperidin-1-ylacetamide | 2 - N-[[(Z)-benzylideneamino]carbamoyl]-2-piperidin-1-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off