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

C10H18N4O3 — CID 77000593

IUPACN'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CCNC(=O)C1C)C(N)=NO
InChIInChI=1S/C10H18N4O3/c1-3-7(8(11)13-17)10(16)14-5-4-12-9(15)6(14)2/h6-7,17H,3-5H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyLGBGJUNKAQOVNY-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.89
Rot. Bonds3

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

N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide (PubChem CID 77000593) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide
PubChem CID77000593
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CCNC(=O)C1C)C(N)=NO
InChIInChI=1S/C10H18N4O3/c1-3-7(8(11)13-17)10(16)14-5-4-12-9(15)6(14)2/h6-7,17H,3-5H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyLGBGJUNKAQOVNY-UHFFFAOYSA-N
XLogP-0.89
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.89
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 N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide?
The IUPAC name of N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide (CID 77000593) is N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide is CCC(C(=O)N1CCNC(=O)C1C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide?
The InChIKey is LGBGJUNKAQOVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-3-7(8(11)13-17)10(16)14-5-4-12-9(15)6(14)2/h6-7,17H,3-5H2,1-2H3,(H2,11,13)(H,12,15).
What are the key properties of N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide?
N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide has a molecular weight of 242.28 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide is sourced from PubChem (CID 77000593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).