(2Z)-2-pentylidene-5-(piperidin-1-ylmethyl)cyclopentan-1-one
Formula:C16H27NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-pentylidene-5-(piperidin-1-ylmethyl)cyclopentan-1-one is a drug-like molecule.
| MolName | (2Z)-2-pentylidene-5-(piperidin-1-ylmethyl)cyclopentan-1-one |
| MolecularFormula | C16H27NO |
| Smiles | CCCC/C=C(/CCC1CN2CCCCC2)\C1=O |
| InChI | InChI=1S/C16H27NO/c1-2-3-5-8-14-9-10-15(16(14)18)13-17-11-6-4-7-12-17/h8,15H,2-7,9-13H2,1H3/t15-/m1/s1 |
| InChIK | XDSHLOYFEPHWBJ-OAHLLOKOSA-N |
| TotalMolweight | 249.396 |
| Molweight | 249.396 |
| MonoisotopicMass | 249.209264 |
| CLogP | 3.6914 |
| CLogS | -2.747 |
| H Acceptors | 2 |
| TotalSurfaceArea | 215.38 |
| Relative PSA | 0.077027 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -2.6446 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 14 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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