Basic information
- Standard SMILES
N#Cc1ccc(-c2ccc(N3CCC(N4CCCCC4)CC3)cc2)[nH]c1=O- InChIKey
FOYWCLASCDFQAO-UHFFFAOYSA-N- Molecular formula
- C22H26N4O
- Average molar mass
- 362.5 g/mol
Names & identifiers
- Preferred name
- 6-[p-(4-Piperidinopiperidino)phenyl]-1,2-dihydro-2-oxonicotinonitrile
- IUPAC
- 2-oxo-6-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile
Names & synonyms
SCHEMBL3530257FOYWCLASCDFQAO-UHFFFAOYSA-N6-[p-(4-Piperidinopiperidino)phenyl] -1,2-dihydro-2-oxonicotinonitrile
Database identifiers
- PubChem CID
- 21404522
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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