2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide

C14H28N4O2 — CID 77012475

IUPAC2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CCN(C(=O)C(C)(C)CC)CC1
InChIInChI=1S/C14H28N4O2/c1-5-11(12(15)16-20)17-7-9-18(10-8-17)13(19)14(3,4)6-2/h11,20H,5-10H2,1-4H3,(H2,15,16)
InChIKeyCMOKGLPXUOXGKC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.09
Rot. Bonds5

About 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide

2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide (PubChem CID 77012475) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide
PubChem CID77012475
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CCN(C(=O)C(C)(C)CC)CC1
InChIInChI=1S/C14H28N4O2/c1-5-11(12(15)16-20)17-7-9-18(10-8-17)13(19)14(3,4)6-2/h11,20H,5-10H2,1-4H3,(H2,15,16)
InChIKeyCMOKGLPXUOXGKC-UHFFFAOYSA-N
XLogP1.09
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.09
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

2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012378
4-(1-amino-1-hydroxyiminobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 104858959
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 76915824
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63341204
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012817
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
CID 76915793
2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 55222178
N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide
CID 77012073
N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide
CID 77060589
N'-hydroxy-2-[4-(thiane-2-carbonyl)piperazin-1-yl]butanimidamide
CID 80595154
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63341209
1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162538

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide (CID 77012475) is 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide is CCC(C(N)=NO)N1CCN(C(=O)C(C)(C)CC)CC1.
What is the InChIKey of 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The InChIKey is CMOKGLPXUOXGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-5-11(12(15)16-20)17-7-9-18(10-8-17)13(19)14(3,4)6-2/h11,20H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide has a molecular weight of 284.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77012475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).