2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide

C13H24N4O2 — CID 55201792

IUPAC2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(/C(N)=N/O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C13H24N4O2/c1-13(2,12(14)15-19)17-8-6-16(7-9-17)11(18)10-4-3-5-10/h10,19H,3-9H2,1-2H3,(H2,14,15)
InChIKeyGYMJBBICDYJPMM-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.46
Rot. Bonds3

About 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 55201792) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
PubChem CID55201792
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(/C(N)=N/O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C13H24N4O2/c1-13(2,12(14)15-19)17-8-6-16(7-9-17)11(18)10-4-3-5-10/h10,19H,3-9H2,1-2H3,(H2,14,15)
InChIKeyGYMJBBICDYJPMM-UHFFFAOYSA-N
XLogP0.46
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (CID 55201792) is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide is CC(C)(/C(N)=N/O)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is GYMJBBICDYJPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-13(2,12(14)15-19)17-8-6-16(7-9-17)11(18)10-4-3-5-10/h10,19H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 268.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 55201792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).