CHEBI:93215 - 4-[2-[[(3,4-difluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[2-[[(3,4-difluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester
ChEBI ID CHEBI:93215
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H23F2N3O3
Net Charge 0
Average Mass 355.380
Monoisotopic Mass 355.17075
InChI InChI=1S/C17H23F2N3O3/c1-2-25-17(24)22-9-5-13(6-10-22)20-7-8-21-16(23)12-3-4-14(18)15(19)11-12/h3-4,11,13,20H,2,5-10H2,1H3,(H,21,23)
InChIKey WBKCHECFGLABAB-UHFFFAOYSA-N
SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC(=C(C=C2)F)F
ChEBI Ontology
Outgoing 4-[2-[[(3,4-difluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester (CHEBI:93215) is a carbonyl compound (CHEBI:36586)
4-[2-[[(3,4-difluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester (CHEBI:93215) is a organohalogen compound (CHEBI:17792)
Manual Xref Database
LSM-3549 LINCS
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