[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-4-ylmethanone
Formula:C19H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-4-ylmethanone is a drug-like molecule.
| MolName | [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-4-ylmethanone |
| MolecularFormula | C19H21N3O |
| Smiles | O=C(c1ccncc1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C19H21N3O/c23-19(18-8-10-20-11-9-18)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2 |
| InChIK | YBXJFNQTDPFIST-UHFFFAOYSA-N |
| TotalMolweight | 307.396 |
| Molweight | 307.396 |
| MonoisotopicMass | 307.168462 |
| CLogP | 2.6217 |
| CLogS | -1.873 |
| H Acceptors | 4 |
| TotalSurfaceArea | 251.93 |
| Relative PSA | 0.12349 |
| PolarSurfaceArea | 36.44 |
| Druglikeness | 8.0987 |
| Mutagenic | none |
| 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 | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-4-ylmethanone | 2 - [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-4-ylmethanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off