5-(4-Acetamidophenyl)-3-(1-Methylpiperidin-4-yl)-1H-Indole (HCID 9841217)

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)Nc1ccc(-c2ccc3[nH]cc(C4CCN(C)CC4)c3c2)cc1
InChIKey: VFNMFWPEANVPMH-UHFFFAOYSA-N
Molecular formula: C22H25N3O
Average molar mass: 347.5 g/mol
Monoisotopic mass: 347.19976243

Names & identifiers

Preferred name: 5-(4-Acetamidophenyl)-3-(1-Methylpiperidin-4-yl)-1H-Indole
IUPAC: N-[4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]phenyl]acetamide

Names & synonyms

SCHEMBL7009508VFNMFWPEANVPMH-UHFFFAOYSA-N5-(4-acetamido phenyl)-3-(1-methylpiperidin-4-yl)-1H-indole5-(4-Acetamidophenyl)-3-(1-Methylpiperidin-4-yl)-1H-Indole

Database identifiers

PubChem CID: 9841217

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 48.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 480

Related reactions

4 records

New reaction record

HRID 113972As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119981As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 278019As productuspto-grants-2002_03

HRID 278021As reactantuspto-grants-2002_03

Compound notes

Loading…