4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile

C11H20N4O — CID 61018157

IUPAC4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile
SMILESCN(CCCC#N)CC(=O)N1CCNCC1
InChIInChI=1S/C11H20N4O/c1-14(7-3-2-4-12)10-11(16)15-8-5-13-6-9-15/h13H,2-3,5-10H2,1H3
InChIKeyPSGZRSGQVZEYCC-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.35
Rot. Bonds5

About 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile

4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile (PubChem CID 61018157) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile.

Molecular Properties

Compound Name4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile
PubChem CID61018157
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile
SMILESCN(CCCC#N)CC(=O)N1CCNCC1
InChIInChI=1S/C11H20N4O/c1-14(7-3-2-4-12)10-11(16)15-8-5-13-6-9-15/h13H,2-3,5-10H2,1H3
InChIKeyPSGZRSGQVZEYCC-UHFFFAOYSA-N
XLogP-0.35
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
1-(1,4-diazepan-1-yl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 55226180
N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903898
N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide
CID 82509684
2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915067
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 54904152
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 65213919

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile?
The IUPAC name of 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile (CID 61018157) is 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile.
What is the SMILES notation for 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile?
The canonical SMILES for 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile is CN(CCCC#N)CC(=O)N1CCNCC1.
What is the InChIKey of 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile?
The InChIKey is PSGZRSGQVZEYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14(7-3-2-4-12)10-11(16)15-8-5-13-6-9-15/h13H,2-3,5-10H2,1H3.
What are the key properties of 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile?
4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile has a molecular weight of 224.31 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile is sourced from PubChem (CID 61018157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).