2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide

C11H22N4O2 — CID 55222178

IUPAC2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide
SMILESCCCC(/C(N)=N/O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C11H22N4O2/c1-3-4-10(11(12)13-17)15-7-5-14(6-8-15)9(2)16/h10,17H,3-8H2,1-2H3,(H2,12,13)
InChIKeyTZIRWHFEANFSRN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.07
Rot. Bonds4

About 2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide

2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide (PubChem CID 55222178) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide
PubChem CID55222178
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide
SMILESCCCC(/C(N)=N/O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C11H22N4O2/c1-3-4-10(11(12)13-17)15-7-5-14(6-8-15)9(2)16/h10,17H,3-8H2,1-2H3,(H2,12,13)
InChIKeyTZIRWHFEANFSRN-UHFFFAOYSA-N
XLogP0.07
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.07
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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Related Compounds

4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide
CID 77012597
N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide
CID 77012839
N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
CID 77012111
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 104892242
2-(4-acetylpiperazin-1-yl)pentanehydrazide
CID 83047028
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
CID 77012746
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 77046495
2-[4-(2-ethylsulfanylethyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 104863512
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012475
N'-hydroxy-2-(4-pyrazin-2-ylpiperazin-1-yl)pentanimidamide
CID 77012355
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 76915824
N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide
CID 77012073

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide (CID 55222178) is 2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide is CCCC(/C(N)=N/O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide?
The InChIKey is TZIRWHFEANFSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-3-4-10(11(12)13-17)15-7-5-14(6-8-15)9(2)16/h10,17H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide?
2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide has a molecular weight of 242.32 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 55222178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).