Basic information
- Standard SMILES
C=CCONC(=O)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccsc2)C1- InChIKey
ONIJYCSFPGQBGB-UHFFFAOYSA-N- Molecular formula
- C24H31N3O2S
- Average molar mass
- 425.6 g/mol
Names & identifiers
- Preferred name
- 1-allyloxycarbamoyl-3-(SR)-(4-phenylpiperidinylmethyl)-4-(RS)-(3-thienyl)pyrrolidine
- IUPAC
- 3-[(4-phenylpiperidin-1-yl)methyl]-N-prop-2-enoxy-4-thiophen-3-ylpyrrolidine-1-carboxamide
Names & synonyms
SCHEMBL7871220ONIJYCSFPGQBGB-UHFFFAOYSA-N1-allyloxycarbamoyl-3-(SR)-(4-phenylpiperidinylmethyl)-4-(RS)-(3-thienyl)pyrrolidine
Database identifiers
- PubChem CID
- 18364907
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 561
Related reactions
2 records
Compound notes
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