2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide

C12H22N4O3 — CID 77000590

IUPAC2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide
SMILESCCC(CC)(C(=O)N1CCNC(=O)C1C)C(N)=NO
InChIInChI=1S/C12H22N4O3/c1-4-12(5-2,10(13)15-19)11(18)16-7-6-14-9(17)8(16)3/h8,19H,4-7H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyUHKQSNSPACFVSU-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.11
Rot. Bonds4

About 2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide

2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide (PubChem CID 77000590) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide
PubChem CID77000590
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide
SMILESCCC(CC)(C(=O)N1CCNC(=O)C1C)C(N)=NO
InChIInChI=1S/C12H22N4O3/c1-4-12(5-2,10(13)15-19)11(18)16-7-6-14-9(17)8(16)3/h8,19H,4-7H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyUHKQSNSPACFVSU-UHFFFAOYSA-N
XLogP-0.11
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.11
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-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide (CID 77000590) is 2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide is CCC(CC)(C(=O)N1CCNC(=O)C1C)C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide?
The InChIKey is UHKQSNSPACFVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-4-12(5-2,10(13)15-19)11(18)16-7-6-14-9(17)8(16)3/h8,19H,4-7H2,1-3H3,(H2,13,15)(H,14,17).
What are the key properties of 2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide?
2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide has a molecular weight of 270.33 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide is sourced from PubChem (CID 77000590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).