Basic information
- Standard SMILES
CCOC(=O)CCc1ccc(C#N)cc1OC(C(=O)C1CCN(c2ccncc2)CC1)[C@H]1CCCN1- InChIKey
JAJHJCZYJKOQLE-RIBGEGAISA-N- Molecular formula
- C28H34N4O4
- Average molar mass
- 490.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[4-cyano-(2R)-2-((1-(pyridine-4-yl)piperidine-4-carbonyl)pyrrolidine-2-ylmethoxy)phenyl]propionate
- IUPAC
- ethyl 3-[4-cyano-2-[2-oxo-2-(1-pyridin-4-ylpiperidin-4-yl)-1-[(2R)-pyrrolidin-2-yl]ethoxy]phenyl]propanoate
Names & synonyms
SCHEMBL6871132JAJHJCZYJKOQLE-RIBGEGAISA-NEthyl 3-[4-cyano-(2R)-2-((1-(pyridine-4-yl)piperidine-4-carbonyl)pyrrolidine-2-ylmethoxy)phenyl]propionate
Database identifiers
- PubChem CID
- 69922684
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 769
Related reactions
2 records
Compound notes
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