4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide

C13H26N4O — CID 110962959

IUPAC4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide
SMILESCCCC/N=C(\NCC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H26N4O/c1-4-6-7-15-13(14-5-2)17-10-8-16(9-11-17)12(3)18/h4-11H2,1-3H3,(H,14,15)
InChIKeyLBAONRRCQBOUCY-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.92
Rot. Bonds4

About 4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide

4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide (PubChem CID 110962959) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide
PubChem CID110962959
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide
SMILESCCCC/N=C(\NCC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H26N4O/c1-4-6-7-15-13(14-5-2)17-10-8-16(9-11-17)12(3)18/h4-11H2,1-3H3,(H,14,15)
InChIKeyLBAONRRCQBOUCY-UHFFFAOYSA-N
XLogP0.92
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-butyl-N-ethylpiperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide (CID 110962959) is 4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide is CCCC/N=C(\NCC)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide?
The InChIKey is LBAONRRCQBOUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-4-6-7-15-13(14-5-2)17-10-8-16(9-11-17)12(3)18/h4-11H2,1-3H3,(H,14,15).
What are the key properties of 4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide?
4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide has a molecular weight of 254.38 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-butyl-N-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 110962959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).