2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide

C11H20N4O3 — CID 55215943

IUPAC2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC(C(=O)N1CCNC(=O)C1(C)C)/C(N)=N/O
InChIInChI=1S/C11H20N4O3/c1-4-7(8(12)14-18)9(16)15-6-5-13-10(17)11(15,2)3/h7,18H,4-6H2,1-3H3,(H2,12,14)(H,13,17)
InChIKeyLHGOWICDNAHBQK-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.50
Rot. Bonds3

About 2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide

2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide (PubChem CID 55215943) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide
PubChem CID55215943
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC(C(=O)N1CCNC(=O)C1(C)C)/C(N)=N/O
InChIInChI=1S/C11H20N4O3/c1-4-7(8(12)14-18)9(16)15-6-5-13-10(17)11(15,2)3/h7,18H,4-6H2,1-3H3,(H2,12,14)(H,13,17)
InChIKeyLHGOWICDNAHBQK-UHFFFAOYSA-N
XLogP-0.50
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
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-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide (CID 55215943) is 2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide is CCC(C(=O)N1CCNC(=O)C1(C)C)/C(N)=N/O.
What is the InChIKey of 2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
The InChIKey is LHGOWICDNAHBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-4-7(8(12)14-18)9(16)15-6-5-13-10(17)11(15,2)3/h7,18H,4-6H2,1-3H3,(H2,12,14)(H,13,17).
What are the key properties of 2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide has a molecular weight of 256.31 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 55215943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).