4-[(E)-3-Oxo-3-((S)-2-((piperidin-1-yl)methyl)pyrrolidin-1-yl)propenyl]benzonitrile
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Basic information
- Standard SMILES
N#Cc1ccc(/C=C/C(=O)N2CCC[C@H]2CN2CCCCC2)cc1- InChIKey
DXDZBXUHRSIGCE-VYENPZKTSA-N- Molecular formula
- C20H25N3O
- Average molar mass
- 323.4 g/mol
Names & identifiers
- Preferred name
- 4-[(E)-3-Oxo-3-((S)-2-((piperidin-1-yl)methyl)pyrrolidin-1-yl)propenyl]benzonitrile
- IUPAC
- 4-[(E)-3-oxo-3-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]prop-1-enyl]benzonitrile
Names & synonyms
SCHEMBL5219830DXDZBXUHRSIGCE-VYENPZKTSA-N4-[(E)-3-Oxo-3-((S)-2-((piperidin-1-yl)methyl)pyrrolidin-1-yl)propenyl]benzonitrile
Database identifiers
- PubChem CID
- 58697191
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 492
Related reactions
1 records
Compound notes
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