4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one

C11H12BrN3O2 — CID 103755533

IUPAC4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccnc(Br)c2)CC1=O
InChIInChI=1S/C11H12BrN3O2/c1-14-4-5-15(7-10(14)16)11(17)8-2-3-13-9(12)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyFCFXYHAOQUTUBC-UHFFFAOYSA-N
MW298.14 g/mol
LogP0.76
Rot. Bonds1

About 4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one

4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one (PubChem CID 103755533) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one
PubChem CID103755533
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccnc(Br)c2)CC1=O
InChIInChI=1S/C11H12BrN3O2/c1-14-4-5-15(7-10(14)16)11(17)8-2-3-13-9(12)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyFCFXYHAOQUTUBC-UHFFFAOYSA-N
XLogP0.76
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 64680303
4-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 102891640
(2-bromo-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114037418
(2-bromo-4-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103754389
4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892680
4-(4-fluoro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 64679893
1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)indole-2-carboxylic acid
CID 175931869
4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
CID 104782996
1-methyl-4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107030966
4-(4-amino-3-chlorobenzoyl)-1-methylpiperazin-2-one
CID 64682228
(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103755134
(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one (CID 103755533) is 4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)c2ccnc(Br)c2)CC1=O.
What is the InChIKey of 4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one?
The InChIKey is FCFXYHAOQUTUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-14-4-5-15(7-10(14)16)11(17)8-2-3-13-9(12)6-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one?
4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one has a molecular weight of 298.14 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 103755533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).