piperidin-1-ylmethyl N-[(Z)-benzylideneamino]carbamate
Formula:C14H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
piperidin-1-ylmethyl N-[(Z)-benzylideneamino]carbamate is a drug-like molecule.
| MolName | piperidin-1-ylmethyl N-[(Z)-benzylideneamino]carbamate |
| MolecularFormula | C14H19N3O2 |
| Smiles | O=C(N/N=C\c1ccccc1)OCN1CCCCC1 |
| InChI | InChI=1S/C14H19N3O2/c18-14(19-12-17-9-5-2-6-10-17)16-15-11-13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,16,18) |
| InChIK | CLGJTNKVZZFMRS-UHFFFAOYSA-N |
| TotalMolweight | 261.324 |
| Molweight | 261.324 |
| MonoisotopicMass | 261.147727 |
| CLogP | 2.8132 |
| CLogS | -3.774 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 216.59 |
| Relative PSA | 0.22882 |
| PolarSurfaceArea | 53.93 |
| Druglikeness | -0.1573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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