3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione

C11H18N4O3 — CID 66074354

IUPAC3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)N1CCNCC1
InChIInChI=1S/C11H18N4O3/c1-11(2)9(17)13-8(16)7-15(11)10(18)14-5-3-12-4-6-14/h12H,3-7H2,1-2H3,(H,13,16,17)
InChIKeyCUVWMZDQBLDYPZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.25
Rot. Bonds

About 3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione

3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione (PubChem CID 66074354) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione
PubChem CID66074354
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)N1CCNCC1
InChIInChI=1S/C11H18N4O3/c1-11(2)9(17)13-8(16)7-15(11)10(18)14-5-3-12-4-6-14/h12H,3-7H2,1-2H3,(H,13,16,17)
InChIKeyCUVWMZDQBLDYPZ-UHFFFAOYSA-N
XLogP-1.25
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.25
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

4-[2-(1,4-diazepan-1-yl)-2-oxoacetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66067869
1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 66068830
3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66076498
2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide
CID 66067870
4-[2-(azetidin-3-ylidene)propanoyl]-3,3-dimethylpiperazine-2,6-dione
CID 116678286
3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione
CID 66073855
methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetate
CID 112617395
4-but-2-ynoyl-3,3-dimethylpiperazine-2,6-dione
CID 107989921
3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione
CID 112603296
4-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-4-oxobut-2-enoic acid
CID 77112084
4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione
CID 66076122
3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione
CID 66075005

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione (CID 66074354) is 3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)N1CCNCC1.
What is the InChIKey of 3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione?
The InChIKey is CUVWMZDQBLDYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2)9(17)13-8(16)7-15(11)10(18)14-5-3-12-4-6-14/h12H,3-7H2,1-2H3,(H,13,16,17).
What are the key properties of 3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione?
3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione has a molecular weight of 254.29 g/mol, XLogP of -1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66074354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).