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

C14H29IN4O — CID 110963136

IUPAC4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
SMILESCCCCC/N=C(\NCC)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C14H28N4O.HI/c1-4-6-7-8-16-14(15-5-2)18-11-9-17(10-12-18)13(3)19;/h4-12H2,1-3H3,(H,15,16);1H
InChIKeyLMNWDXCLBVVNPM-UHFFFAOYSA-N
MW396.32 g/mol
LogP1.92
Rot. Bonds5

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

4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110963136) has the molecular formula C14H29IN4O and a molecular weight of 396.32 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110963136
Molecular FormulaC14H29IN4O
Molecular Weight396.32 g/mol
Exact Mass396.14
IUPAC Name4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
SMILESCCCCC/N=C(\NCC)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C14H28N4O.HI/c1-4-6-7-8-16-14(15-5-2)18-11-9-17(10-12-18)13(3)19;/h4-12H2,1-3H3,(H,15,16);1H
InChIKeyLMNWDXCLBVVNPM-UHFFFAOYSA-N
XLogP1.92
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 51.92
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-ethyl-N'-nonylpiperazine-1-carboximidamide;hydroiodide
CID 110963690
4-acetyl-N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]piperazine-1-carboximidamide;hydroiodide
CID 110963956
ethyl 4-(N'-butyl-N-ethylcarbamimidoyl)piperazine-1-carboxylate;hydroiodide
CID 111163768
4-acetyl-N-ethyl-N'-(2-methylsulfanylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110963440
4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963138
4-acetyl-N-ethyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperazine-1-carboximidamide
CID 110962687
4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 110963148
4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 110963596
N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide
CID 111166041
4-acetyl-N-ethyl-N'-[4-(2-oxo-1-pyridinyl)butyl]piperazine-1-carboximidamide
CID 110962613
4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide
CID 110963597
4-acetyl-N-ethyl-N'-[3-(N-methylanilino)propyl]piperazine-1-carboximidamide
CID 110962977

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide (CID 110963136) is 4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide is CCCCC/N=C(\NCC)N1CCN(C(C)=O)CC1.I.
What is the InChIKey of 4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is LMNWDXCLBVVNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.HI/c1-4-6-7-8-16-14(15-5-2)18-11-9-17(10-12-18)13(3)19;/h4-12H2,1-3H3,(H,15,16);1H.
What are the key properties of 4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide?
4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 396.32 g/mol, XLogP of 1.92, 5 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'-pentylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110963136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).