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

C14H28N4O2 — CID 77012817

IUPAC2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCCC(C)(C)C(=O)N1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H28N4O2/c1-6-13(2,3)12(19)17-7-9-18(10-8-17)14(4,5)11(15)16-20/h20H,6-10H2,1-5H3,(H2,15,16)
InChIKeyNWICPHZJMMJUJK-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.09
Rot. Bonds4

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

2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77012817) 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'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77012817
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCCC(C)(C)C(=O)N1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H28N4O2/c1-6-13(2,3)12(19)17-7-9-18(10-8-17)14(4,5)11(15)16-20/h20H,6-10H2,1-5H3,(H2,15,16)
InChIKeyNWICPHZJMMJUJK-UHFFFAOYSA-N
XLogP1.09
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (CID 77012817) is 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide is CCC(C)(C)C(=O)N1CCN(C(C)(C)C(N)=NO)CC1.
What is the InChIKey of 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is NWICPHZJMMJUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-6-13(2,3)12(19)17-7-9-18(10-8-17)14(4,5)11(15)16-20/h20H,6-10H2,1-5H3,(H2,15,16).
What are the key properties of 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 284.40 g/mol, XLogP of 1.09, 4 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'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77012817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).