2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide

C11H19N3O3 — CID 66067507

IUPAC2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)CNC(C)(C)C1=O
InChIInChI=1S/C11H19N3O3/c1-7(2)13-8(15)6-14-9(16)5-12-11(3,4)10(14)17/h7,12H,5-6H2,1-4H3,(H,13,15)
InChIKeyQHLLPNDNYJWTLS-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.75
Rot. Bonds3

About 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide

2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide (PubChem CID 66067507) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide
PubChem CID66067507
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)CNC(C)(C)C1=O
InChIInChI=1S/C11H19N3O3/c1-7(2)13-8(15)6-14-9(16)5-12-11(3,4)10(14)17/h7,12H,5-6H2,1-4H3,(H,13,15)
InChIKeyQHLLPNDNYJWTLS-UHFFFAOYSA-N
XLogP-0.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide
CID 78899614
N-(2-cyanoethyl)-2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)acetamide
CID 66069237
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-propan-2-ylacetamide
CID 9378942
1-ethyl-3,3-dimethylpiperazine-2,6-dione
CID 66067687
3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione
CID 66068271
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 4810319
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79028054
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43241577
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427
(2S)-2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 61173447
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione
CID 66069806

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide (CID 66067507) is 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)CNC(C)(C)C1=O.
What is the InChIKey of 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is QHLLPNDNYJWTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)13-8(15)6-14-9(16)5-12-11(3,4)10(14)17/h7,12H,5-6H2,1-4H3,(H,13,15).
What are the key properties of 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide?
2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 241.29 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 66067507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).