Basic information
- CAS
56302-60-4- Standard SMILES
Cc1cc(Nc2ccc(C(=O)N3CCCCC3)cc2)nc(-c2cccc(F)c2)n1- InChIKey
BJJHOJGUSSCNSE-UHFFFAOYSA-N- Molecular formula
- C23H23FN4O
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.18558953
Names & identifiers
- Preferred name
- Piperidine, 1-(4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoyl)-
- IUPAC
- [4-[[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone
Names & synonyms
Piperidine, 1-(4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoyl)-1-(4-((2-(3-Fluorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoyl)piperidine56302-60-4DTXSID40204843RefChem:373082DTXCID70127334(4-{[2-(3-Fluorophenyl)-6-methylpyrimidin-4-yl]amino}phenyl)(piperidin-1-yl)methanone
Database identifiers
- CAS
56302-60-4- PubChem CID
- 3043887
- DTXSID
DTXSID40204843
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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