3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione

C12H20N4O3 — CID 66076498

IUPAC3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1CC(=O)N1CCNCC1
InChIInChI=1S/C12H20N4O3/c1-12(2)11(19)14-9(17)7-16(12)8-10(18)15-5-3-13-4-6-15/h13H,3-8H2,1-2H3,(H,14,17,19)
InChIKeyIQCFHPMVLAWTKE-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.84
Rot. Bonds2

About 3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione

3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione (PubChem CID 66076498) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
PubChem CID66076498
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1CC(=O)N1CCNCC1
InChIInChI=1S/C12H20N4O3/c1-12(2)11(19)14-9(17)7-16(12)8-10(18)15-5-3-13-4-6-15/h13H,3-8H2,1-2H3,(H,14,17,19)
InChIKeyIQCFHPMVLAWTKE-UHFFFAOYSA-N
XLogP-1.84
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione with MolForge

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Related Compounds

4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66084891
3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione
CID 66074354
2-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]prop-2-enoic acid
CID 66075748
4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione
CID 107507470
4-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-3-methylbut-2-enoic acid
CID 77111230
4-[2-(1,4-diazepan-1-yl)-2-oxoacetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66067869
4-[2-(2,6-difluorophenyl)-2-oxoethyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074786
3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-methylpropanoic acid
CID 66073616
4-[2-(2-bromophenyl)-2-oxoethyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075364
1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione
CID 61349224
1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one
CID 63102108

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione (CID 66076498) is 3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1CC(=O)N1CCNCC1.
What is the InChIKey of 3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione?
The InChIKey is IQCFHPMVLAWTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(2)11(19)14-9(17)7-16(12)8-10(18)15-5-3-13-4-6-15/h13H,3-8H2,1-2H3,(H,14,17,19).
What are the key properties of 3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione?
3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione has a molecular weight of 268.32 g/mol, XLogP of -1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione is sourced from PubChem (CID 66076498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).