4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione

C11H10BrN3O3 — CID 66061183

IUPAC4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H10BrN3O3/c1-6-10(17)14-9(16)5-15(6)11(18)8-3-2-7(12)4-13-8/h2-4,6H,5H2,1H3,(H,14,16,17)
InChIKeyRGLPFHXTXMXJPY-UHFFFAOYSA-N
MW312.12 g/mol
LogP0.33
Rot. Bonds1

About 4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione

4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66061183) has the molecular formula C11H10BrN3O3 and a molecular weight of 312.12 g/mol. Its IUPAC name is 4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66061183
Molecular FormulaC11H10BrN3O3
Molecular Weight312.12 g/mol
Exact Mass310.99
IUPAC Name4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H10BrN3O3/c1-6-10(17)14-9(16)5-15(6)11(18)8-3-2-7(12)4-13-8/h2-4,6H,5H2,1H3,(H,14,16,17)
InChIKeyRGLPFHXTXMXJPY-UHFFFAOYSA-N
XLogP0.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione
CID 66060995
4-(4-bromo-2-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66063304
3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973133
4-(3-bromobenzoyl)-3-methylpiperazine-2,6-dione
CID 66061547
3-methyl-4-(pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 102922193
4-(5-bromothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061181
4-(4-hydrazinylpyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076054
2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile
CID 66062893
4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione
CID 66063502
4-(4-bromo-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062932
4-[2-(4-bromophenyl)sulfanylacetyl]-3-methylpiperazine-2,6-dione
CID 66062330
3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione
CID 104639186

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione (CID 66061183) is 4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1ccc(Br)cn1.
What is the InChIKey of 4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is RGLPFHXTXMXJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3/c1-6-10(17)14-9(16)5-15(6)11(18)8-3-2-7(12)4-13-8/h2-4,6H,5H2,1H3,(H,14,16,17).
What are the key properties of 4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione?
4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 312.12 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66061183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).