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

C12H22N4O3 — CID 55216157

IUPAC2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide
SMILESCCCC(C(=O)N1CCNC(=O)C1CC)/C(N)=N/O
InChIInChI=1S/C12H22N4O3/c1-3-5-8(10(13)15-19)12(18)16-7-6-14-11(17)9(16)4-2/h8-9,19H,3-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyWYLMZNVFXQSUNY-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.11
Rot. Bonds5

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

2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide (PubChem CID 55216157) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide
PubChem CID55216157
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide
SMILESCCCC(C(=O)N1CCNC(=O)C1CC)/C(N)=N/O
InChIInChI=1S/C12H22N4O3/c1-3-5-8(10(13)15-19)12(18)16-7-6-14-11(17)9(16)4-2/h8-9,19H,3-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyWYLMZNVFXQSUNY-UHFFFAOYSA-N
XLogP-0.11
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide?
The IUPAC name of 2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide (CID 55216157) is 2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide?
The canonical SMILES for 2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide is CCCC(C(=O)N1CCNC(=O)C1CC)/C(N)=N/O.
What is the InChIKey of 2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide?
The InChIKey is WYLMZNVFXQSUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-3-5-8(10(13)15-19)12(18)16-7-6-14-11(17)9(16)4-2/h8-9,19H,3-7H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide?
2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide has a molecular weight of 270.33 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 55216157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).