2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide

C11H15BrN4O3 — CID 106855786

IUPAC2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CCN(C(=O)c2ccoc2Br)CC1)=N/O
InChIInChI=1S/C11H15BrN4O3/c12-10-8(1-6-19-10)11(17)16-4-2-15(3-5-16)7-9(13)14-18/h1,6,18H,2-5,7H2,(H2,13,14)
InChIKeyWYPCHTNUSFTKRR-UHFFFAOYSA-N
MW331.17 g/mol
LogP0.55
Rot. Bonds3

About 2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 106855786) has the molecular formula C11H15BrN4O3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID106855786
Molecular FormulaC11H15BrN4O3
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CCN(C(=O)c2ccoc2Br)CC1)=N/O
InChIInChI=1S/C11H15BrN4O3/c12-10-8(1-6-19-10)11(17)16-4-2-15(3-5-16)7-9(13)14-18/h1,6,18H,2-5,7H2,(H2,13,14)
InChIKeyWYPCHTNUSFTKRR-UHFFFAOYSA-N
XLogP0.55
TPSA95.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-bromofuran-3-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 106853905
2-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77012051
2-[4-(5-bromo-2-methylbenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064947
2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 107992491
2-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011940
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-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 106853497
N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide
CID 107672471
(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
CID 106856052
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011992
(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 106852804

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide (CID 106855786) is 2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide is N/C(CN1CCN(C(=O)c2ccoc2Br)CC1)=N/O.
What is the InChIKey of 2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is WYPCHTNUSFTKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O3/c12-10-8(1-6-19-10)11(17)16-4-2-15(3-5-16)7-9(13)14-18/h1,6,18H,2-5,7H2,(H2,13,14).
What are the key properties of 2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 331.17 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 106855786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).