4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C15H20BrN3O2 — CID 61019216

IUPAC4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCc1cc(Br)ccc1C(=O)N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C15H20BrN3O2/c1-11-9-12(16)3-4-13(11)15(21)18(2)10-14(20)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyUIHQVZFJAKQOIG-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.26
Rot. Bonds3

About 4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 61019216) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID61019216
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCc1cc(Br)ccc1C(=O)N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C15H20BrN3O2/c1-11-9-12(16)3-4-13(11)15(21)18(2)10-14(20)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyUIHQVZFJAKQOIG-UHFFFAOYSA-N
XLogP1.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454674
5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454675
2-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805865
3-bromo-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454891
2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61018145
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
CID 43629489
2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454843
2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454543
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
N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671306
4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454573

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 61019216) is 4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is Cc1cc(Br)ccc1C(=O)N(C)CC(=O)N1CCNCC1.
What is the InChIKey of 4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is UIHQVZFJAKQOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-11-9-12(16)3-4-13(11)15(21)18(2)10-14(20)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 354.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 61019216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).