Basic information
- Standard SMILES
COC(=O)c1cc(N2CCC(=O)CC2)ccc1F- InChIKey
NSKSXPZPHMYPOA-UHFFFAOYSA-N- Molecular formula
- C13H14FNO3
- Average molar mass
- 251.25 g/mol
Names & identifiers
- Preferred name
- Methyl 2-fluoro-5-(4-oxopiperidin-1-yl)benzoate
- IUPAC
- methyl 2-fluoro-5-(4-oxopiperidin-1-yl)benzoate
Names & synonyms
SCHEMBL196025NSKSXPZPHMYPOA-UHFFFAOYSA-NDB-134808methyl 2-fluoro-5-(4-oxopiperidin-1-yl)benzoate2-Fluoro-5-(4-oxo-1-piperidinyl)benzoic acid methyl ester1242314-58-4
Database identifiers
- PubChem CID
- 66619019
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Related reactions
1 records
Compound notes
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