4-[1-(5-chloro-thiophen-2-ylmethyl)-5-methoxy-1H-indol-3-yl]-piperidine-1-carboxylic acid ethyl ester

HCID 69411985
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)N1CCC(c2cn(Cc3ccc(Cl)s3)c3ccc(OC)cc23)CC1
InChIKey
KWJLGPQSAFSGLJ-UHFFFAOYSA-N
Molecular formula
C22H25ClN2O3S
Average molar mass
433 g/mol
Monoisotopic mass
432.1274415

Names & identifiers

Preferred name
4-[1-(5-chloro-thiophen-2-ylmethyl)-5-methoxy-1H-indol-3-yl]-piperidine-1-carboxylic acid ethyl ester
IUPAC
ethyl 4-[1-[(5-chlorothiophen-2-yl)methyl]-5-methoxyindol-3-yl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL5342917KWJLGPQSAFSGLJ-UHFFFAOYSA-N4-[1-(5-chloro-thiophen-2-ylmethyl)-5-methoxy-1H-indol-3-yl]-piperidine-1-carboxylic acid ethyl ester

Database identifiers

PubChem CID
69411985

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
71.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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