4-(2-bromobutanoyl)-1-methylpiperazin-2-one

C9H15BrN2O2 — CID 64681143

IUPAC4-(2-bromobutanoyl)-1-methylpiperazin-2-one
SMILESCCC(Br)C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C9H15BrN2O2/c1-3-7(10)9(14)12-5-4-11(2)8(13)6-12/h7H,3-6H2,1-2H3
InChIKeyCZLORYOQVDOSGR-UHFFFAOYSA-N
MW263.13 g/mol
LogP0.46
Rot. Bonds2

About 4-(2-bromobutanoyl)-1-methylpiperazin-2-one

4-(2-bromobutanoyl)-1-methylpiperazin-2-one (PubChem CID 64681143) has the molecular formula C9H15BrN2O2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 4-(2-bromobutanoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-bromobutanoyl)-1-methylpiperazin-2-one
PubChem CID64681143
Molecular FormulaC9H15BrN2O2
Molecular Weight263.13 g/mol
Exact Mass262.03
IUPAC Name4-(2-bromobutanoyl)-1-methylpiperazin-2-one
SMILESCCC(Br)C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C9H15BrN2O2/c1-3-7(10)9(14)12-5-4-11(2)8(13)6-12/h7H,3-6H2,1-2H3
InChIKeyCZLORYOQVDOSGR-UHFFFAOYSA-N
XLogP0.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-propanoylpiperazin-2-one
CID 64693548
4-(2-aminopentanoyl)-1-methylpiperazin-2-one
CID 64681612
1-(4-acetylpiperazin-1-yl)-2-bromobutan-1-one
CID 62856622
2-(4-methyl-3-oxopiperazine-1-carbonyl)pentanenitrile
CID 64683059
4-butanoyl-1-methylpiperazin-2-one
CID 64693337
2-bromo-1-pyrrolidin-1-ylbutan-1-one
CID 25219711
4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one
CID 81102582
1-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110708045
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
2-methyl-3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 64680974
2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 64694323
ethane;4-methyl-3-oxopiperazine-1-carboxamide
CID 143722944

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromobutanoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-bromobutanoyl)-1-methylpiperazin-2-one (CID 64681143) is 4-(2-bromobutanoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-bromobutanoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-bromobutanoyl)-1-methylpiperazin-2-one is CCC(Br)C(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 4-(2-bromobutanoyl)-1-methylpiperazin-2-one?
The InChIKey is CZLORYOQVDOSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2/c1-3-7(10)9(14)12-5-4-11(2)8(13)6-12/h7H,3-6H2,1-2H3.
What are the key properties of 4-(2-bromobutanoyl)-1-methylpiperazin-2-one?
4-(2-bromobutanoyl)-1-methylpiperazin-2-one has a molecular weight of 263.13 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromobutanoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64681143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).