Basic information
- Standard SMILES
CCOc1cc(CN2CCC(NC(=O)c3cc(OC)cc(C(=O)OC)c3)CC2)cc(OCC)c1F- InChIKey
DFKQRKHBQAEIRQ-UHFFFAOYSA-N- Molecular formula
- C26H33FN2O6
- Average molar mass
- 488.5 g/mol
- Monoisotopic mass
- 488.23226494
Names & identifiers
- Preferred name
- N-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-yl]-5-methoxy-isophthalamic acid methyl ester
- IUPAC
- methyl 3-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]carbamoyl]-5-methoxybenzoate
Names & synonyms
SCHEMBL2960851DFKQRKHBQAEIRQ-UHFFFAOYSA-NN-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-yl]-5-methoxy-isophthalamic acid methyl ester
Database identifiers
- PubChem CID
- 68458070
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 658
Related reactions
10 records
Compound notes
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