1,1-Dimethylethyl 4-[4-(4-fluorophenyl)-2-oxo-3-(4-pyridinyl)-3-butenyl]-1-piperidinecarboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CC(=O)C(=Cc2ccc(F)cc2)c2ccncc2)CC1- InChIKey
FKPKTDATMCLASA-UHFFFAOYSA-N- Molecular formula
- C25H29FN2O3
- Average molar mass
- 424.5 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-[4-(4-fluorophenyl)-2-oxo-3-(4-pyridinyl)-3-butenyl]-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-[4-(4-fluorophenyl)-2-oxo-3-pyridin-4-ylbut-3-enyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL5254512FKPKTDATMCLASA-UHFFFAOYSA-N1,1-dimethylethyl 4-[4-(4-fluorophenyl)-2-oxo-3-(4-pyridinyl)-3-butenyl]-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 53804312
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 636
Related reactions
11 records
Compound notes
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