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2RV

Summary
Name:1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
Formula:C16 H20 F3 N3 O3
Formal charge:0
Formula weight:359.344 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
OpenEye OEToolkits1.7.61-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethyloxy)phenyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)cc1)CC2)CC
InChIInChI1.03InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
InChIKeyInChI1.03AAJMQTLFRTZCJK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(OC(F)(F)F)cc2
SMILESCACTVS3.385CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(OC(F)(F)F)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F
SMILESOpenEye OEToolkits1.7.6CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F

222415

PDB entries from 2024-07-10

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