2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide

C13H26N4O2 — CID 77012386

IUPAC2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C13H26N4O2/c1-10(12(14)15-19)16-5-7-17(8-6-16)11(18)9-13(2,3)4/h10,19H,5-9H2,1-4H3,(H2,14,15)
InChIKeyKNPPVGAWUFUBHS-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.70
Rot. Bonds3

About 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide

2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 77012386) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID77012386
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C13H26N4O2/c1-10(12(14)15-19)16-5-7-17(8-6-16)11(18)9-13(2,3)4/h10,19H,5-9H2,1-4H3,(H2,14,15)
InChIKeyKNPPVGAWUFUBHS-UHFFFAOYSA-N
XLogP0.70
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.70
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

N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide
CID 77099596
2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 55202553
N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide
CID 77015089
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012378
2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87561124
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012843
4-(3,3-dimethylbutanoyl)piperazine-1-carbothioamide
CID 59072038
1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 144808257
2-[4-(3-methoxy-3-methylbutanoyl)piperazin-1-yl]propanethioamide
CID 103020435
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 63340947
N'-hydroxy-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
CID 77012625
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012457

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide (CID 77012386) is 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide is CC(C(N)=NO)N1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is KNPPVGAWUFUBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10(12(14)15-19)16-5-7-17(8-6-16)11(18)9-13(2,3)4/h10,19H,5-9H2,1-4H3,(H2,14,15).
What are the key properties of 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 270.38 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77012386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).