6-bromopiperazin-2-one

C4H7BrN2O — CID 75132381

IUPAC6-bromopiperazin-2-one
SMILESO=C1CNCC(Br)N1
InChIInChI=1S/C4H7BrN2O/c5-3-1-6-2-4(8)7-3/h3,6H,1-2H2,(H,7,8)
InChIKeyAWOQGXNEQKZKRP-UHFFFAOYSA-N
MW179.02 g/mol
LogP-0.57
Rot. Bonds

About 6-bromopiperazin-2-one

6-bromopiperazin-2-one (PubChem CID 75132381) has the molecular formula C4H7BrN2O and a molecular weight of 179.02 g/mol. Its IUPAC name is 6-bromopiperazin-2-one.

Molecular Properties

Compound Name6-bromopiperazin-2-one
PubChem CID75132381
Molecular FormulaC4H7BrN2O
Molecular Weight179.02 g/mol
Exact Mass177.97
IUPAC Name6-bromopiperazin-2-one
SMILESO=C1CNCC(Br)N1
InChIInChI=1S/C4H7BrN2O/c5-3-1-6-2-4(8)7-3/h3,6H,1-2H2,(H,7,8)
InChIKeyAWOQGXNEQKZKRP-UHFFFAOYSA-N
XLogP-0.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.02
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

ethane;6-(hydroxymethyl)piperazin-2-one
CID 170608951
(6-oxopiperazin-2-yl) acetate
CID 174447712
6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one
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N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide
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6-(2-aminoethyl)-1,4-diazepan-2-one
CID 105430690
aziridin-2-one
CID 158991665
benzyl formate;(6S)-6-methylpiperazin-2-one
CID 174951053
5,6-dibromopiperazine-2,3-dione
CID 175346621
4-methylpyrrolidin-3-one;hydrochloride
CID 105427865
4-bromopiperidine-2,6-dione
CID 22351194
(1R,5R)-3-azabicyclo[3.2.1]octan-8-one
CID 98052490
4-oxoimidazolidine-2-carbaldehyde
CID 22006153

Frequently Asked Questions

What is the IUPAC name of 6-bromopiperazin-2-one?
The IUPAC name of 6-bromopiperazin-2-one (CID 75132381) is 6-bromopiperazin-2-one.
What is the SMILES notation for 6-bromopiperazin-2-one?
The canonical SMILES for 6-bromopiperazin-2-one is O=C1CNCC(Br)N1.
What is the InChIKey of 6-bromopiperazin-2-one?
The InChIKey is AWOQGXNEQKZKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrN2O/c5-3-1-6-2-4(8)7-3/h3,6H,1-2H2,(H,7,8).
What are the key properties of 6-bromopiperazin-2-one?
6-bromopiperazin-2-one has a molecular weight of 179.02 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopiperazin-2-one is sourced from PubChem (CID 75132381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).