2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C14H18BrN3O2 — CID 61018145

IUPAC2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1ccccc1Br
InChIInChI=1S/C14H18BrN3O2/c1-17(10-13(19)18-8-6-16-7-9-18)14(20)11-4-2-3-5-12(11)15/h2-5,16H,6-10H2,1H3
InChIKeyDKHIVWLSHOOUER-UHFFFAOYSA-N
MW340.22 g/mol
LogP0.95
Rot. Bonds3

About 2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 61018145) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID61018145
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1ccccc1Br
InChIInChI=1S/C14H18BrN3O2/c1-17(10-13(19)18-8-6-16-7-9-18)14(20)11-4-2-3-5-12(11)15/h2-5,16H,6-10H2,1H3
InChIKeyDKHIVWLSHOOUER-UHFFFAOYSA-N
XLogP0.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805865
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454534
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454533
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61019216
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454674
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 119454757
5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454675
3-bromo-2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 106547783
3-bromo-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454891
4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454573
N,3-dimethyl-2-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454588
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 64951471

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 61018145) is 2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is CN(CC(=O)N1CCNCC1)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is DKHIVWLSHOOUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-17(10-13(19)18-8-6-16-7-9-18)14(20)11-4-2-3-5-12(11)15/h2-5,16H,6-10H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 340.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 61018145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).