methyl (3R,4R)-1-[2-(cyclohexylthio)ethyl]-4-[3-oxo-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-acetate
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Basic information
- Standard SMILES
COC(=O)C[C@H]1CN(CCSC2CCCCC2)CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc12- InChIKey
IVFDUZVLDXRKCU-YADHBBJMSA-N- Molecular formula
- C29H40N2O4S
- Average molar mass
- 512.7 g/mol
- Monoisotopic mass
- 512.27087894
Names & identifiers
- Preferred name
- methyl (3R,4R)-1-[2-(cyclohexylthio)ethyl]-4-[3-oxo-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-acetate
- IUPAC
- methyl 2-[(3R,4R)-1-(2-cyclohexylsulfanylethyl)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidin-3-yl]acetate
Names & synonyms
IVFDUZVLDXRKCU-YADHBBJMSA-Nmethyl (3R,4R)-1-[2-(cyclohexylthio)ethyl]-4-[3-oxo-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-acetate
Database identifiers
- PubChem CID
- 86758166
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 701
Related reactions
2 records
Compound notes
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