Basic information
- Standard SMILES
O=C(CN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCC(=O)N2- InChIKey
BOOMEATZWYLAPF-UHFFFAOYSA-N- Molecular formula
- C22H24FN3O3
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.1801698
Names & identifiers
- Preferred name
- 2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-N-(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-7-yl)-acetamide
- IUPAC
- 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
Names & synonyms
SCHEMBL4577553BOOMEATZWYLAPF-UHFFFAOYSA-N2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-N-(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-7-yl)-acetamide
Database identifiers
- PubChem CID
- 69100291
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 574
Related reactions
2 records
Compound notes
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