4-acetyl-N,N'-diethylpiperazine-1-carboximidamide

C11H22N4O — CID 110962961

IUPAC4-acetyl-N,N'-diethylpiperazine-1-carboximidamide
SMILESCC/N=C(\NCC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C11H22N4O/c1-4-12-11(13-5-2)15-8-6-14(7-9-15)10(3)16/h4-9H2,1-3H3,(H,12,13)
InChIKeyVKGLANDQQNJYKL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.14
Rot. Bonds2

About 4-acetyl-N,N'-diethylpiperazine-1-carboximidamide

4-acetyl-N,N'-diethylpiperazine-1-carboximidamide (PubChem CID 110962961) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-acetyl-N,N'-diethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N,N'-diethylpiperazine-1-carboximidamide
PubChem CID110962961
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name4-acetyl-N,N'-diethylpiperazine-1-carboximidamide
SMILESCC/N=C(\NCC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C11H22N4O/c1-4-12-11(13-5-2)15-8-6-14(7-9-15)10(3)16/h4-9H2,1-3H3,(H,12,13)
InChIKeyVKGLANDQQNJYKL-UHFFFAOYSA-N
XLogP0.14
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.14
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,N'-diethylpiperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N,N'-diethylpiperazine-1-carboximidamide (CID 110962961) is 4-acetyl-N,N'-diethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N,N'-diethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N,N'-diethylpiperazine-1-carboximidamide is CC/N=C(\NCC)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N,N'-diethylpiperazine-1-carboximidamide?
The InChIKey is VKGLANDQQNJYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-4-12-11(13-5-2)15-8-6-14(7-9-15)10(3)16/h4-9H2,1-3H3,(H,12,13).
What are the key properties of 4-acetyl-N,N'-diethylpiperazine-1-carboximidamide?
4-acetyl-N,N'-diethylpiperazine-1-carboximidamide has a molecular weight of 226.32 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N,N'-diethylpiperazine-1-carboximidamide is sourced from PubChem (CID 110962961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).