2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide

C13H25N3O2 — CID 113270747

IUPAC2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
SMILESCCC(C)(C(=O)N1C(C)CCCC1C)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-5-13(4,11(14)15-18)12(17)16-9(2)7-6-8-10(16)3/h9-10,18H,5-8H2,1-4H3,(H2,14,15)
InChIKeyKKABTEPCAJBXHW-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.94
Rot. Bonds3

About 2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide

2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide (PubChem CID 113270747) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
PubChem CID113270747
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
SMILESCCC(C)(C(=O)N1C(C)CCCC1C)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-5-13(4,11(14)15-18)12(17)16-9(2)7-6-8-10(16)3/h9-10,18H,5-8H2,1-4H3,(H2,14,15)
InChIKeyKKABTEPCAJBXHW-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide?
The IUPAC name of 2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide (CID 113270747) is 2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide.
What is the SMILES notation for 2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide?
The canonical SMILES for 2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide is CCC(C)(C(=O)N1C(C)CCCC1C)C(N)=NO.
What is the InChIKey of 2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide?
The InChIKey is KKABTEPCAJBXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-13(4,11(14)15-18)12(17)16-9(2)7-6-8-10(16)3/h9-10,18H,5-8H2,1-4H3,(H2,14,15).
What are the key properties of 2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide?
2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide has a molecular weight of 255.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide is sourced from PubChem (CID 113270747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).