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PVR

Summary
Name:2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide
Formula:C16 H22 N4 O2
Formal charge:0
Formula weight:302.371 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide
OpenEye OEToolkits2.0.7~{N}-(4-cyclopropylpyridin-3-yl)-2-(4-ethanoylpiperazin-1-yl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C1CC1
InChIInChI1.06InChI=1S/C16H22N4O2/c1-12(21)20-8-6-19(7-9-20)11-16(22)18-15-10-17-5-4-14(15)13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,18,22)
InChIKeyInChI1.06QSGGZCHNCXCCMN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3
SMILESCACTVS3.385CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3

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PDB entries from 2024-07-24

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