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

C9H10N4O3 — CID 103511484

IUPAC4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione
SMILESCn1cncc1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C9H10N4O3/c1-12-5-10-2-6(12)9(16)13-3-7(14)11-8(15)4-13/h2,5H,3-4H2,1H3,(H,11,14,15)
InChIKeyRHDRGHCKYKQLBC-UHFFFAOYSA-N
MW222.20 g/mol
LogP-1.48
Rot. Bonds1

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

4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione (PubChem CID 103511484) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione
PubChem CID103511484
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione
SMILESCn1cncc1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C9H10N4O3/c1-12-5-10-2-6(12)9(16)13-3-7(14)11-8(15)4-13/h2,5H,3-4H2,1H3,(H,11,14,15)
InChIKeyRHDRGHCKYKQLBC-UHFFFAOYSA-N
XLogP-1.48
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103511374
1,4-diazepan-1-yl-(3-methylimidazol-4-yl)methanone
CID 83883938
(3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512261
(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512264
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 107160135
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512267
(3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 103511608
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione
CID 66085561
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125143151

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione (CID 103511484) is 4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione is Cn1cncc1C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione?
The InChIKey is RHDRGHCKYKQLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-12-5-10-2-6(12)9(16)13-3-7(14)11-8(15)4-13/h2,5H,3-4H2,1H3,(H,11,14,15).
What are the key properties of 4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione?
4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione has a molecular weight of 222.20 g/mol, XLogP of -1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 103511484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).