Basic information
- Standard SMILES
CCOC(=O)N1CCC(c2cn(Cc3ccsc3)c3ccccc23)CC1- InChIKey
SQJGJFITIIBSLS-UHFFFAOYSA-N- Molecular formula
- C21H24N2O2S
- Average molar mass
- 368.5 g/mol
Names & identifiers
- Preferred name
- 4-(1-thiophen-3-ylmethyl-1H-indol-3-yl)-piperidine-1-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-[1-(thiophen-3-ylmethyl)indol-3-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL5347587SQJGJFITIIBSLS-UHFFFAOYSA-N4-(1-thiophen-3-ylmethyl-1H-indol-3-yl)-piperidine-1-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 69413184
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
Related reactions
2 records
Compound notes
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