3-cyclopentyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
Formula:C21H30N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-cyclopentyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one is a drug-like molecule.
| MolName | 3-cyclopentyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one |
| MolecularFormula | C21H30N2O |
| Smiles | O=C(CCC1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C21H30N2O/c24-21(13-12-20-9-4-5-10-20)23-17-15-22(16-18-23)14-6-11-19-7-2-1-3-8-19/h1-3,6-8,11,20H,4-5,9-10,12-18H2 |
| InChIK | ZDWCTLDWFIRQQW-UHFFFAOYSA-N |
| TotalMolweight | 326.482 |
| Molweight | 326.482 |
| MonoisotopicMass | 326.235813 |
| CLogP | 4.0897 |
| CLogS | -3.094 |
| H Acceptors | 3 |
| TotalSurfaceArea | 274.97 |
| Relative PSA | 0.073244 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 5.8241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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