2-(4-dimethylamino-4-phenylcyclohexylidene)-1-[3-(1H-indol-3-yl)piperidine-1-yl]-ethanone

HCID 9956718

Notes Reactions

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Basic information

Standard SMILES: CN(C)C1(c2ccccc2)CCC(=CC(=O)N2CCCC(c3c[nH]c4ccccc34)C2)CC1
InChIKey: HUEGUJOACCLJOY-UHFFFAOYSA-N
Molecular formula: C29H35N3O
Average molar mass: 441.6 g/mol
Monoisotopic mass: 441.27801275

Names & identifiers

Preferred name: 2-(4-dimethylamino-4-phenylcyclohexylidene)-1-[3-(1H-indol-3-yl)piperidine-1-yl]-ethanone
IUPAC: 2-[4-(dimethylamino)-4-phenylcyclohexylidene]-1-[3-(1H-indol-3-yl)piperidin-1-yl]ethanone

Names & synonyms

SCHEMBL2784514HUEGUJOACCLJOY-UHFFFAOYSA-N2-(4-dimethylamino-4-phenylcyclohexylidene)-1-[3-(1H-indol-3-yl)piperidine-1-yl]-ethanone2-(4-dimethylamino-4-phenylcyclohexylidene)-1-[3-(1H-indol-3-yl)-piperidine-1-yl]-ethanone

Database identifiers

PubChem CID: 9956718

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 39.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 33
Formal charge: 0
Complexity: 700

Related reactions

6 records

New reaction record

HRID 178188As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 818987As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1219477As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2357489As reactantuspto-grants-2010_07

HRID 2357491As productuspto-grants-2010_07

HRID 2357492As reactantuspto-grants-2010_07

Compound notes

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