[6-(4-benzylpiperidin-1-yl)pyridin-3-yl]-morpholin-4-ylmethanone
Formula:C22H27N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[6-(4-benzylpiperidin-1-yl)pyridin-3-yl]-morpholin-4-ylmethanone is a drug-like molecule.
| MolName | [6-(4-benzylpiperidin-1-yl)pyridin-3-yl]-morpholin-4-ylmethanone |
| MolecularFormula | C22H27N3O2 |
| Smiles | O=C(c(cc1)cnc1N1CCC(Cc2ccccc2)CC1)N1CCOCC1 |
| InChI | InChI=1S/C22H27N3O2/c26-22(25-12-14-27-15-13-25)20-6-7-21(23-17-20)24-10-8-19(9-11-24)16-18-4-2-1-3-5-18/h1-7,17,19H,8-16H2 |
| InChIK | MYVIZTXATGBFEX-UHFFFAOYSA-N |
| TotalMolweight | 365.475 |
| Molweight | 365.475 |
| MonoisotopicMass | 365.210327 |
| CLogP | 3.2286 |
| CLogS | -3.343 |
| H Acceptors | 5 |
| TotalSurfaceArea | 289.47 |
| Relative PSA | 0.14202 |
| PolarSurfaceArea | 45.67 |
| Druglikeness | 4.5286 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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