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

C10H12N4O3 — CID 107973133

IUPAC3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1cn(C)cn1
InChIInChI=1S/C10H12N4O3/c1-6-9(16)12-8(15)4-14(6)10(17)7-3-13(2)5-11-7/h3,5-6H,4H2,1-2H3,(H,12,15,16)
InChIKeyNGUPBCUAKWKCHP-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.09
Rot. Bonds1

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

3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione (PubChem CID 107973133) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
PubChem CID107973133
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1cn(C)cn1
InChIInChI=1S/C10H12N4O3/c1-6-9(16)12-8(15)4-14(6)10(17)7-3-13(2)5-11-7/h3,5-6H,4H2,1-2H3,(H,12,15,16)
InChIKeyNGUPBCUAKWKCHP-UHFFFAOYSA-N
XLogP-1.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-4-(1-methylimidazole-4-carbonyl)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

3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973136
3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione
CID 66060995
4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061183
3-methyl-4-(pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 102922193
4-(4-hydrazinylpyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076054
4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062263
3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione
CID 66061734
4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062108
2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile
CID 66062893
5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 66061161
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061604
(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 20703295

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione (CID 107973133) is 3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1cn(C)cn1.
What is the InChIKey of 3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione?
The InChIKey is NGUPBCUAKWKCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-6-9(16)12-8(15)4-14(6)10(17)7-3-13(2)5-11-7/h3,5-6H,4H2,1-2H3,(H,12,15,16).
What are the key properties of 3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione?
3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione has a molecular weight of 236.23 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 107973133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).