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CHEBI:109163 - 1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:109163
ChEBI Name1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
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FormulaC17H22ClNO3S
Net Charge0
Average Mass355.887
Monoisotopic Mass355.10089
SMILESCCOC(=O)C1CCN(C(=O)C(C)Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClNO3S/c1-3-22-17(21)13-8-10-19(11-9-13)16(20)12(2)23-15-6-4-14(18)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyWEIFSHCLPPCJAG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester (CHEBI:109163) is a carboxylic acid (CHEBI:33575)
1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester (CHEBI:109163) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-20560LINCS