Basic information
- CAS
56302-49-9- Standard SMILES
Cc1cc(Nc2ccc(C(=O)N3CCCCC3)cc2)nc(-c2ccc(Cl)cc2)n1- InChIKey
IDBQMYCVFRXJHI-UHFFFAOYSA-N- Molecular formula
- C23H23ClN4O
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.1560391
Names & identifiers
- Preferred name
- Piperidine, 1-(4-((2-(4-chlorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoyl)-
- IUPAC
- [4-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone
Names & synonyms
Piperidine, 1-(4-((2-(4-chlorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoyl)-1-(4-((2-(4-Chlorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoyl)piperidine56302-49-9DTXSID80204842RefChem:373083DTXCID10127333(4-{[2-(4-Chlorophenyl)-6-methylpyrimidin-4-yl]amino}phenyl)(piperidin-1-yl)methanone
Database identifiers
- CAS
56302-49-9- PubChem CID
- 3043886
- DTXSID
DTXSID80204842
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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