1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone

C15H15BrN2O3 — CID 84576524

IUPAC1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc3ccc(Br)cc3o2)CC1
InChIInChI=1S/C15H15BrN2O3/c1-10(19)17-4-6-18(7-5-17)15(20)14-8-11-2-3-12(16)9-13(11)21-14/h2-3,8-9H,4-7H2,1H3
InChIKeyIIMRJPLBPPCMGF-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.50
Rot. Bonds1

About 1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone

1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 84576524) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID84576524
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc3ccc(Br)cc3o2)CC1
InChIInChI=1S/C15H15BrN2O3/c1-10(19)17-4-6-18(7-5-17)15(20)14-8-11-2-3-12(16)9-13(11)21-14/h2-3,8-9H,4-7H2,1H3
InChIKeyIIMRJPLBPPCMGF-UHFFFAOYSA-N
XLogP2.50
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 84576723
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 49264037
[4-(5-bromo-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 78865868
(5-aminopyrazol-1-yl)-(6-bromo-1-benzofuran-2-yl)methanone
CID 112524566
(5-bromo-1-benzofuran-2-yl)-(1,4-diazepan-1-yl)methanone
CID 119414241
1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile
CID 49062183
(5-bromo-1-benzofuran-2-yl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55917664
(5-bromo-1-benzofuran-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 46437678
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
(5-bromo-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 46438689
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
(5-bromo-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 46431094

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone (CID 84576524) is 1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc3ccc(Br)cc3o2)CC1.
What is the InChIKey of 1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is IIMRJPLBPPCMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-10(19)17-4-6-18(7-5-17)15(20)14-8-11-2-3-12(16)9-13(11)21-14/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 351.20 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 84576524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).