Basic information
- Standard SMILES
CCOC(=O)c1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)ccc1OC- InChIKey
XZNAEOQZZPVWDP-UHFFFAOYSA-N- Molecular formula
- C24H28N2O3
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.20999276
Names & identifiers
- Preferred name
- 5-[4-(1H-indol-3-yl)-piperidin-1-ylmethyl]-2-methoxy-benzoic acid ethyl ester
- IUPAC
- ethyl 5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-2-methoxybenzoate
Names & synonyms
SCHEMBL5343841XZNAEOQZZPVWDP-UHFFFAOYSA-N5-[4-(1H-indol-3-yl)-piperidin-1-ylmethyl]-2-methoxy-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 69412208
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 534
Related reactions
4 records
Compound notes
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