2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide

C15H22BrN3O3 — CID 9205744

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCOc1cc(Br)c(CC(=O)NN2CCN(C)CC2)cc1OC
InChIInChI=1S/C15H22BrN3O3/c1-18-4-6-19(7-5-18)17-15(20)9-11-8-13(21-2)14(22-3)10-12(11)16/h8,10H,4-7,9H2,1-3H3,(H,17,20)
InChIKeyQZNJRYKIKWSYOW-UHFFFAOYSA-N
MW372.26 g/mol
LogP1.29
Rot. Bonds5

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide

2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 9205744) has the molecular formula C15H22BrN3O3 and a molecular weight of 372.26 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID9205744
Molecular FormulaC15H22BrN3O3
Molecular Weight372.26 g/mol
Exact Mass371.08
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCOc1cc(Br)c(CC(=O)NN2CCN(C)CC2)cc1OC
InChIInChI=1S/C15H22BrN3O3/c1-18-4-6-19(7-5-18)17-15(20)9-11-8-13(21-2)14(22-3)10-12(11)16/h8,10H,4-7,9H2,1-3H3,(H,17,20)
InChIKeyQZNJRYKIKWSYOW-UHFFFAOYSA-N
XLogP1.29
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 84556181
2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 83016661
2-(2-bromo-4,5-dimethoxyphenyl)-N-prop-2-enylacetamide
CID 9207575
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43224154
2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 9369462
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119316725
2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
CID 9205759
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585
2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 17426993
ethyl 4-[N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164615
2-(2-bromo-4,5-dimethoxyphenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18198012
N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide
CID 9366282

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide (CID 9205744) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide is COc1cc(Br)c(CC(=O)NN2CCN(C)CC2)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is QZNJRYKIKWSYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O3/c1-18-4-6-19(7-5-18)17-15(20)9-11-8-13(21-2)14(22-3)10-12(11)16/h8,10H,4-7,9H2,1-3H3,(H,17,20).
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 372.26 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 9205744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).