(E)-3-(furan-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
Formula:C19H22N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide |
| MolecularFormula | C19H22N2O2 |
| Smiles | O=C(/C=C/c1ccco1)Nc1ccc(CN2CCCCC2)cc1 |
| InChI | InChI=1S/C19H22N2O2/c22-19(11-10-18-5-4-14-23-18)20-17-8-6-16(7-9-17)15-21-12-2-1-3-13-21/h4-11,14H,1-3,12-13,15H2,(H,20,22) |
| InChIK | DPZFDPKEZQSFBL-UHFFFAOYSA-N |
| TotalMolweight | 310.396 |
| Molweight | 310.396 |
| MonoisotopicMass | 310.168128 |
| CLogP | 3.0809 |
| CLogS | -3.65 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.78 |
| Relative PSA | 0.16355 |
| PolarSurfaceArea | 45.48 |
| Druglikeness | 0.57024 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(furan-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide | 2 - (E)-3-(furan-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off