(E)-3-phenyl-1-(3-piperidin-2-ylpiperidin-1-yl)prop-2-en-1-one
Formula:C19H26N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-1-(3-piperidin-2-ylpiperidin-1-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-phenyl-1-(3-piperidin-2-ylpiperidin-1-yl)prop-2-en-1-one |
| MolecularFormula | C19H26N2O |
| Smiles | O=C(/C=C/c1ccccc1)N(CCC1)CC1C1NCCCC1 |
| InChI | InChI=1S/C19H26N2O/c22-19(12-11-16-7-2-1-3-8-16)21-14-6-9-17(15-21)18-10-4-5-13-20-18/h1-3,7-8,11-12,17-18,20H,4-6,9-10,13-15H2 |
| InChIK | XIZYLQMCWHMQNP-UHFFFAOYSA-N |
| TotalMolweight | 298.428 |
| Molweight | 298.428 |
| MonoisotopicMass | 298.204513 |
| CLogP | 3.1884 |
| CLogS | -3.264 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 247.35 |
| Relative PSA | 0.1134 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 1.305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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