2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide

C13H24N4O3 — CID 77000490

IUPAC2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC1C(=O)NCCN1C(=O)C(CC)(CC)C(N)=NO
InChIInChI=1S/C13H24N4O3/c1-4-9-10(18)15-7-8-17(9)12(19)13(5-2,6-3)11(14)16-20/h9,20H,4-8H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyRAOGEUFJRSUKOI-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.28
Rot. Bonds5

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

2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide (PubChem CID 77000490) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide
PubChem CID77000490
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC1C(=O)NCCN1C(=O)C(CC)(CC)C(N)=NO
InChIInChI=1S/C13H24N4O3/c1-4-9-10(18)15-7-8-17(9)12(19)13(5-2,6-3)11(14)16-20/h9,20H,4-8H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyRAOGEUFJRSUKOI-UHFFFAOYSA-N
XLogP0.28
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.28
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-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
The IUPAC name of 2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide (CID 77000490) is 2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide is CCC1C(=O)NCCN1C(=O)C(CC)(CC)C(N)=NO.
What is the InChIKey of 2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
The InChIKey is RAOGEUFJRSUKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-4-9-10(18)15-7-8-17(9)12(19)13(5-2,6-3)11(14)16-20/h9,20H,4-8H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of 2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide has a molecular weight of 284.36 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77000490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).