2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone

C12H15BrN2O2S — CID 43227756

IUPAC2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone
SMILESCC(=O)N1CCN(CC(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H15BrN2O2S/c1-9(16)15-6-4-14(5-7-15)8-10(17)11-2-3-12(13)18-11/h2-3H,4-8H2,1H3
InChIKeyDFCZVPBMTFQZHD-UHFFFAOYSA-N
MW331.24 g/mol
LogP1.86
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone

2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone (PubChem CID 43227756) has the molecular formula C12H15BrN2O2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone
PubChem CID43227756
Molecular FormulaC12H15BrN2O2S
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone
SMILESCC(=O)N1CCN(CC(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H15BrN2O2S/c1-9(16)15-6-4-14(5-7-15)8-10(17)11-2-3-12(13)18-11/h2-3H,4-8H2,1H3
InChIKeyDFCZVPBMTFQZHD-UHFFFAOYSA-N
XLogP1.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 62774039
1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836577
1-(5-bromothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51363090
methyl 2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]acetate
CID 61075431
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 62036555
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 62017494
1-(5-bromothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228330
1-(aziridin-1-yl)-4-(5-bromothiophen-2-yl)butane-1,4-dione
CID 82124402
1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 43227068
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(5-bromothiophen-2-yl)ethanone
CID 79942862
1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960675
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone (CID 43227756) is 2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone is CC(=O)N1CCN(CC(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone?
The InChIKey is DFCZVPBMTFQZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2S/c1-9(16)15-6-4-14(5-7-15)8-10(17)11-2-3-12(13)18-11/h2-3H,4-8H2,1H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone?
2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone has a molecular weight of 331.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 43227756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).