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

C14H28N4O2 — CID 77012843

IUPAC2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(C)CC(=O)N1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H28N4O2/c1-13(2,3)10-11(19)17-6-8-18(9-7-17)14(4,5)12(15)16-20/h20H,6-10H2,1-5H3,(H2,15,16)
InChIKeyBZWKPLRDYPJTIW-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.09
Rot. Bonds3

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

2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77012843) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77012843
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(C)CC(=O)N1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H28N4O2/c1-13(2,3)10-11(19)17-6-8-18(9-7-17)14(4,5)12(15)16-20/h20H,6-10H2,1-5H3,(H2,15,16)
InChIKeyBZWKPLRDYPJTIW-UHFFFAOYSA-N
XLogP1.09
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide
CID 104982318
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012817
4-(3,3-dimethylbutanoyl)piperazine-1-carbothioamide
CID 59072038
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012386
2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 55203523
1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 144808257
N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
CID 107912433
N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide
CID 55219817
N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
CID 77012657
1-(4-acetyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 110738741
3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 71782653
N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide
CID 104863517

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (CID 77012843) is 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide is CC(C)(C)CC(=O)N1CCN(C(C)(C)C(N)=NO)CC1.
What is the InChIKey of 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is BZWKPLRDYPJTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-13(2,3)10-11(19)17-6-8-18(9-7-17)14(4,5)12(15)16-20/h20H,6-10H2,1-5H3,(H2,15,16).
What are the key properties of 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 284.40 g/mol, XLogP of 1.09, 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'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77012843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).