2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide

C11H22N4O — CID 63604911

IUPAC2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide
SMILESCCC1C(=O)NCCN1/C(N)=N/CC(C)C
InChIInChI=1S/C11H22N4O/c1-4-9-10(16)13-5-6-15(9)11(12)14-7-8(2)3/h8-9H,4-7H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyJUKQTIQYLPPWOM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.17
Rot. Bonds3

About 2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide

2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide (PubChem CID 63604911) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide
PubChem CID63604911
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide
SMILESCCC1C(=O)NCCN1/C(N)=N/CC(C)C
InChIInChI=1S/C11H22N4O/c1-4-9-10(16)13-5-6-15(9)11(12)14-7-8(2)3/h8-9H,4-7H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyJUKQTIQYLPPWOM-UHFFFAOYSA-N
XLogP0.17
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide?
The IUPAC name of 2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide (CID 63604911) is 2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for 2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for 2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide is CCC1C(=O)NCCN1/C(N)=N/CC(C)C.
What is the InChIKey of 2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide?
The InChIKey is JUKQTIQYLPPWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-4-9-10(16)13-5-6-15(9)11(12)14-7-8(2)3/h8-9H,4-7H2,1-3H3,(H2,12,14)(H,13,16).
What are the key properties of 2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide?
2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide has a molecular weight of 226.32 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(2-methylpropyl)-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 63604911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).