1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone

C12H15BrN2O4 — CID 106853497

IUPAC1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2ccoc2Br)CC1
InChIInChI=1S/C12H15BrN2O4/c1-18-8-10(16)14-3-5-15(6-4-14)12(17)9-2-7-19-11(9)13/h2,7H,3-6,8H2,1H3
InChIKeyGAQQUEFBPBFYMV-UHFFFAOYSA-N
MW331.17 g/mol
LogP0.97
Rot. Bonds3

About 1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone

1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 106853497) has the molecular formula C12H15BrN2O4 and a molecular weight of 331.17 g/mol. Its IUPAC name is 1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID106853497
Molecular FormulaC12H15BrN2O4
Molecular Weight331.17 g/mol
Exact Mass330.02
IUPAC Name1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2ccoc2Br)CC1
InChIInChI=1S/C12H15BrN2O4/c1-18-8-10(16)14-3-5-15(6-4-14)12(17)9-2-7-19-11(9)13/h2,7H,3-6,8H2,1H3
InChIKeyGAQQUEFBPBFYMV-UHFFFAOYSA-N
XLogP0.97
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 106853503
4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 106853377
1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103882529
1-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60776287
1-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776285
1-[4-(2-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 78891868
1-[4-(3-bromo-2-fluorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 106547862
(2-bromofuran-3-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 106853905
(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 106852804
2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 106855786
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
1-[4-(2,4-diaminobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 61110043

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone (CID 106853497) is 1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)c2ccoc2Br)CC1.
What is the InChIKey of 1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is GAQQUEFBPBFYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4/c1-18-8-10(16)14-3-5-15(6-4-14)12(17)9-2-7-19-11(9)13/h2,7H,3-6,8H2,1H3.
What are the key properties of 1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 331.17 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 106853497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).