2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile

C12H19N3O2 — CID 65257211

IUPAC2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile
SMILESCN1CCN(CCCC(C)(C)C#N)C(=O)C1=O
InChIInChI=1S/C12H19N3O2/c1-12(2,9-13)5-4-6-15-8-7-14(3)10(16)11(15)17/h4-8H2,1-3H3
InChIKeyVYARZRZUGLKKIL-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.62
Rot. Bonds4

About 2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile

2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile (PubChem CID 65257211) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile
PubChem CID65257211
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile
SMILESCN1CCN(CCCC(C)(C)C#N)C(=O)C1=O
InChIInChI=1S/C12H19N3O2/c1-12(2,9-13)5-4-6-15-8-7-14(3)10(16)11(15)17/h4-8H2,1-3H3
InChIKeyVYARZRZUGLKKIL-UHFFFAOYSA-N
XLogP0.62
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-6-(4-methyl-2,3-dioxopiperazin-1-yl)hexanenitrile
CID 106710237
2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile
CID 65257372
5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile
CID 65254881
2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile
CID 115278486
2,2-dimethyl-5-(2-oxo-5-propylazepan-1-yl)pentanenitrile
CID 65257593
1-(4-aminobutyl)-4-methylpiperazine-2,3-dione
CID 62927891
2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile
CID 130682582
5-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2,2-dimethylpentanenitrile
CID 114513542
2,2-dimethyl-6-(4-methyl-2-oxopyrrolidin-1-yl)hexanenitrile
CID 106710243
2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile
CID 65251724
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile
CID 65257590
5-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 66076098

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile (CID 65257211) is 2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile is CN1CCN(CCCC(C)(C)C#N)C(=O)C1=O.
What is the InChIKey of 2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile?
The InChIKey is VYARZRZUGLKKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,9-13)5-4-6-15-8-7-14(3)10(16)11(15)17/h4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile?
2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile has a molecular weight of 237.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 65257211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).