Basic information
- Standard SMILES
CCc1cnc(N2CCC(N3CCCC(Nc4ccc(S(C)(=O)=O)cc4F)C3=O)CC2)nc1- InChIKey
GDUWYGXXAFLWJB-UHFFFAOYSA-N- Molecular formula
- C23H30FN5O3S
- Average molar mass
- 475.6 g/mol
Names & identifiers
- Preferred name
- 1'-(5-Ethylpyrimidin-2-yl)-3-(2-fluoro-4-(methylsulfonyl)phenylamino)-1,4'-bipiperidin-2-one
- IUPAC
- 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2-fluoro-4-methylsulfonylanilino)piperidin-2-one
Names & synonyms
SCHEMBL15023116GDUWYGXXAFLWJB-UHFFFAOYSA-N1'-(5-ethylpyrimidin-2-yl)-3-(2-fluoro-4-(methylsulfonyl)phenylamino)-1,4'-bipiperidin-2-one
Database identifiers
- PubChem CID
- 76166177
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 763
Related reactions
1 records
Compound notes
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