[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C26H37N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is a drug-like molecule.
| MolName | [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C26H37N3O |
| Smiles | O=C(C1CCN(CC2CC=CCC2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C26H37N3O/c30-26(25-13-16-28(17-14-25)22-24-10-5-2-6-11-24)29-20-18-27(19-21-29)15-7-12-23-8-3-1-4-9-23/h1-5,7-9,12,24-25H,6,10-11,13-22H2/t24-/m1/s1 |
| InChIK | RJWUKQZQIJQCMM-XMMPIXPASA-N |
| TotalMolweight | 407.6 |
| Molweight | 407.6 |
| MonoisotopicMass | 407.293662 |
| CLogP | 3.9433 |
| CLogS | -2.835 |
| H Acceptors | 4 |
| TotalSurfaceArea | 338.29 |
| Relative PSA | 0.070029 |
| PolarSurfaceArea | 26.79 |
| Druglikeness | 5.8821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 17 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
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1 - [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
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