2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide

C12H24N4O2 — CID 55249330

IUPAC2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC(C(=O)N1CCN(C)C(CC)C1)/C(N)=N/O
InChIInChI=1S/C12H24N4O2/c1-4-9-8-16(7-6-15(9)3)12(17)10(5-2)11(13)14-18/h9-10,18H,4-8H2,1-3H3,(H2,13,14)
InChIKeyDRWMMINKIUSXJN-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.31
Rot. Bonds4

About 2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide

2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide (PubChem CID 55249330) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide
PubChem CID55249330
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC(C(=O)N1CCN(C)C(CC)C1)/C(N)=N/O
InChIInChI=1S/C12H24N4O2/c1-4-9-8-16(7-6-15(9)3)12(17)10(5-2)11(13)14-18/h9-10,18H,4-8H2,1-3H3,(H2,13,14)
InChIKeyDRWMMINKIUSXJN-UHFFFAOYSA-N
XLogP0.31
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
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'}

Analyze 2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide 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-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide (CID 55249330) is 2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide is CCC(C(=O)N1CCN(C)C(CC)C1)/C(N)=N/O.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
The InChIKey is DRWMMINKIUSXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-4-9-8-16(7-6-15(9)3)12(17)10(5-2)11(13)14-18/h9-10,18H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide?
2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide has a molecular weight of 256.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 55249330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).