2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide

C13H20N4O3 — CID 77012820

IUPAC2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C13H20N4O3/c1-13(2,12(14)15-19)17-6-4-16(5-7-17)11(18)10-3-8-20-9-10/h3,8-9,19H,4-7H2,1-2H3,(H2,14,15)
InChIKeyFRDKYLQYGPCORJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.56
Rot. Bonds3

About 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide

2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77012820) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77012820
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C13H20N4O3/c1-13(2,12(14)15-19)17-6-4-16(5-7-17)11(18)10-3-8-20-9-10/h3,8-9,19H,4-7H2,1-2H3,(H2,14,15)
InChIKeyFRDKYLQYGPCORJ-UHFFFAOYSA-N
XLogP0.56
TPSA95.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.56
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (CID 77012820) is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide is CC(C)(C(N)=NO)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is FRDKYLQYGPCORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(2,12(14)15-19)17-6-4-16(5-7-17)11(18)10-3-8-20-9-10/h3,8-9,19H,4-7H2,1-2H3,(H2,14,15).
What are the key properties of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 280.33 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77012820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).