Basic information
- Standard SMILES
C/C(=C\C(=O)N1CCC[C@H]1CN1CCCCC1)c1ccc(CC(C)C)cc1- InChIKey
ZIKVMUUQOGTFSV-JVIWHDFBSA-N- Molecular formula
- C24H36N2O
- Average molar mass
- 368.6 g/mol
Names & identifiers
- Preferred name
- (E)-3-(4-(Isobutyl)phenyl)-1-((S)-2-((piperidin-1-yl)methyl)pyrrolidin-1-yl)but-2-en-1-one
- IUPAC
- (E)-3-[4-(2-methylpropyl)phenyl]-1-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]but-2-en-1-one
Names & synonyms
SCHEMBL5251009ZIKVMUUQOGTFSV-JVIWHDFBSA-N(E)-3-(4-(Isobutyl)phenyl)-1-((S)-2-((piperidin-1-yl)methyl)pyrrolidin-1-yl)but-2-en-1-one
Database identifiers
- PubChem CID
- 58697232
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 499
Related reactions
1 records
Compound notes
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