3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione

C11H18N2O4 — CID 112603296

IUPAC3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione
SMILESCC(C)OCC(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C11H18N2O4/c1-7(2)17-6-9(15)13-5-8(14)12-10(16)11(13,3)4/h7H,5-6H2,1-4H3,(H,12,14,16)
InChIKeyMYJRRPSGHLEJEL-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.32
Rot. Bonds3

About 3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione

3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione (PubChem CID 112603296) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione
PubChem CID112603296
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione
SMILESCC(C)OCC(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C11H18N2O4/c1-7(2)17-6-9(15)13-5-8(14)12-10(16)11(13,3)4/h7H,5-6H2,1-4H3,(H,12,14,16)
InChIKeyMYJRRPSGHLEJEL-UHFFFAOYSA-N
XLogP-0.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione 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

4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione
CID 66076122
3,3-dimethyl-4-[3-(propan-2-ylamino)propanoyl]piperazine-2,6-dione
CID 66074617
4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66073778
3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66074634
2,2-dimethyl-N-(2-methylpropyl)-3,5-dioxopiperazine-1-carbothioamide
CID 116509226
4-(4-amino-2-methylbutanoyl)-3,3-dimethylpiperazine-2,6-dione
CID 80545098
methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetate
CID 112617395
3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione
CID 66073632
4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074178
4-[2-(4-bromophenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074596
3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione
CID 66075005
3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione
CID 66074354

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione (CID 112603296) is 3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione is CC(C)OCC(=O)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione?
The InChIKey is MYJRRPSGHLEJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(2)17-6-9(15)13-5-8(14)12-10(16)11(13,3)4/h7H,5-6H2,1-4H3,(H,12,14,16).
What are the key properties of 3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione?
3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione has a molecular weight of 242.27 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione is sourced from PubChem (CID 112603296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).