2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide

C11H22N4O2 — CID 55216158

IUPAC2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC(C(=O)N1CCN(C)C(C)C1)/C(N)=N/O
InChIInChI=1S/C11H22N4O2/c1-4-9(10(12)13-17)11(16)15-6-5-14(3)8(2)7-15/h8-9,17H,4-7H2,1-3H3,(H2,12,13)
InChIKeyKIRQCNDTSUHVPR-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.08
Rot. Bonds3

About 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide

2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide (PubChem CID 55216158) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide
PubChem CID55216158
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC(C(=O)N1CCN(C)C(C)C1)/C(N)=N/O
InChIInChI=1S/C11H22N4O2/c1-4-9(10(12)13-17)11(16)15-6-5-14(3)8(2)7-15/h8-9,17H,4-7H2,1-3H3,(H2,12,13)
InChIKeyKIRQCNDTSUHVPR-UHFFFAOYSA-N
XLogP-0.08
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.08
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-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide (CID 55216158) is 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide is CCC(C(=O)N1CCN(C)C(C)C1)/C(N)=N/O.
What is the InChIKey of 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
The InChIKey is KIRQCNDTSUHVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-4-9(10(12)13-17)11(16)15-6-5-14(3)8(2)7-15/h8-9,17H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide has a molecular weight of 242.32 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 55216158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).