Basic information
- Standard SMILES
CN(C)C1CCN(c2ccc(NC(=O)C3CCN(c4ccc(Cl)cc4C#N)CC3)cc2)C1- InChIKey
BFDOVBKIJRLLDB-UHFFFAOYSA-N- Molecular formula
- C25H30ClN5O
- Average molar mass
- 452 g/mol
- Monoisotopic mass
- 451.2138883
Names & identifiers
- Preferred name
- 1-(4-Chloro-2-cyanophenyl)piperidine-4-carboxylic Acid [4-(3-dimethylaminopyrrolidin-1-yl)phenyl]amide
- IUPAC
- 1-(4-chloro-2-cyanophenyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]piperidine-4-carboxamide
Names & synonyms
SCHEMBL1749959BFDOVBKIJRLLDB-UHFFFAOYSA-N1-(4-Chloro-2-cyanophenyl)piperidine-4-carboxylic Acid [4-(3-dimethylaminopyrrolidin-1-yl)phenyl]amide
Database identifiers
- PubChem CID
- 58867765
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 677
Related reactions
3 records
Compound notes
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