4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide

C12H25IN4O — CID 110963188

IUPAC4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide
SMILESCCC/N=C(\NCC)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C12H24N4O.HI/c1-4-6-14-12(13-5-2)16-9-7-15(8-10-16)11(3)17;/h4-10H2,1-3H3,(H,13,14);1H
InChIKeyAVEXVZHGYNYSHT-UHFFFAOYSA-N
MW368.26 g/mol
LogP1.14
Rot. Bonds3

About 4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide

4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110963188) has the molecular formula C12H25IN4O and a molecular weight of 368.26 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110963188
Molecular FormulaC12H25IN4O
Molecular Weight368.26 g/mol
Exact Mass368.11
IUPAC Name4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide
SMILESCCC/N=C(\NCC)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C12H24N4O.HI/c1-4-6-14-12(13-5-2)16-9-7-15(8-10-16)11(3)17;/h4-10H2,1-3H3,(H,13,14);1H
InChIKeyAVEXVZHGYNYSHT-UHFFFAOYSA-N
XLogP1.14
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 51.14
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide (CID 110963188) is 4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide is CCC/N=C(\NCC)N1CCN(C(C)=O)CC1.I.
What is the InChIKey of 4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is AVEXVZHGYNYSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O.HI/c1-4-6-14-12(13-5-2)16-9-7-15(8-10-16)11(3)17;/h4-10H2,1-3H3,(H,13,14);1H.
What are the key properties of 4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide?
4-acetyl-N-ethyl-N'-propylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 368.26 g/mol, XLogP of 1.14, 3 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'-propylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110963188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).