4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide

C10H20N4O — CID 110962955

IUPAC4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide
SMILESCCN/C(=N\C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C10H20N4O/c1-4-12-10(11-3)14-7-5-13(6-8-14)9(2)15/h4-8H2,1-3H3,(H,11,12)
InChIKeyPPSISNJURJVPTL-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.25
Rot. Bonds1

About 4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide

4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide (PubChem CID 110962955) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide
PubChem CID110962955
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide
SMILESCCN/C(=N\C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C10H20N4O/c1-4-12-10(11-3)14-7-5-13(6-8-14)9(2)15/h4-8H2,1-3H3,(H,11,12)
InChIKeyPPSISNJURJVPTL-UHFFFAOYSA-N
XLogP-0.25
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide (CID 110962955) is 4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide is CCN/C(=N\C)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide?
The InChIKey is PPSISNJURJVPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-12-10(11-3)14-7-5-13(6-8-14)9(2)15/h4-8H2,1-3H3,(H,11,12).
What are the key properties of 4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide?
4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide has a molecular weight of 212.30 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 110962955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).