4-(5-methoxy-1H-indol-3-yl)-piperidine-1-carboxylic acid ethyl ester

HCID 11335656

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1
InChIKey: OMHQIIZPCDPNJX-UHFFFAOYSA-N
Molecular formula: C17H22N2O3
Average molar mass: 302.37 g/mol

Names & identifiers

Preferred name: 4-(5-methoxy-1H-indol-3-yl)-piperidine-1-carboxylic acid ethyl ester
IUPAC: ethyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate

Names & synonyms

SCHEMBL5351948OMHQIIZPCDPNJX-UHFFFAOYSA-N4-(5-methoxy-1H-indol-3-yl)-piperidine-1-carboxylic acid ethyl ester

Database identifiers

PubChem CID: 11335656

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 382

Related reactions

12 records

New reaction record

HRID 100910As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 203767As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 302031As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 320387As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 457842As reactantuspto-grants-2007_03

HRID 457845As reactantuspto-grants-2007_03

HRID 457848As reactantuspto-grants-2007_03

HRID 457854As reactantuspto-grants-2007_03

Compound notes

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