Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1AKB

Summary
Name:N,N-dimethylpiperazine-1-carboxamide
Formula:C7 H15 N3 O
Formal charge:0
Formula weight:157.213 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N,N-dimethylpiperazine-1-carboxamide
OpenEye OEToolkits2.0.7~{N},~{N}-dimethylpiperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N(C)C)N1CCNCC1
InChIInChI1.06InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
InChIKeyInChI1.06XMFYMWXCIWIHAC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)C(=O)N1CCNCC1
SMILESCACTVS3.385CN(C)C(=O)N1CCNCC1
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)C(=O)N1CCNCC1
SMILESOpenEye OEToolkits2.0.7CN(C)C(=O)N1CCNCC1

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon