1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C13H25N3O2 — CID 107162538

IUPAC1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCCC(C)(C)C(=O)N1CCC(C)(C(N)=NO)CC1
InChIInChI=1S/C13H25N3O2/c1-5-12(2,3)11(17)16-8-6-13(4,7-9-16)10(14)15-18/h18H,5-9H2,1-4H3,(H2,14,15)
InChIKeyQCLNNVQQXQKNKT-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.80
Rot. Bonds3

About 1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107162538) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107162538
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCCC(C)(C)C(=O)N1CCC(C)(C(N)=NO)CC1
InChIInChI=1S/C13H25N3O2/c1-5-12(2,3)11(17)16-8-6-13(4,7-9-16)10(14)15-18/h18H,5-9H2,1-4H3,(H2,14,15)
InChIKeyQCLNNVQQXQKNKT-UHFFFAOYSA-N
XLogP1.80
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-4-methyl-1-(2-methylsulfanylacetyl)piperidine-4-carboximidamide
CID 107162505
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012817
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012378
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
CID 113341327
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012475
1-(azepan-1-yl)-2,2-dimethylbutan-1-one
CID 4631423
1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162545
1-decyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161754
1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161726
N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide
CID 107162347
N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide
CID 107162353
4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide
CID 62677126

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107162538) is 1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is CCC(C)(C)C(=O)N1CCC(C)(C(N)=NO)CC1.
What is the InChIKey of 1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is QCLNNVQQXQKNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-12(2,3)11(17)16-8-6-13(4,7-9-16)10(14)15-18/h18H,5-9H2,1-4H3,(H2,14,15).
What are the key properties of 1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 255.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).