4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide

C15H27IN6O — CID 110963148

IUPAC4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCn1ccnc1)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C15H26N6O.HI/c1-3-17-15(18-5-4-7-19-8-6-16-13-19)21-11-9-20(10-12-21)14(2)22;/h6,8,13H,3-5,7,9-12H2,1-2H3,(H,17,18);1H
InChIKeyGIOPVASRDOUBNE-UHFFFAOYSA-N
MW434.33 g/mol
LogP1.02
Rot. Bonds5

About 4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide

4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 110963148) has the molecular formula C15H27IN6O and a molecular weight of 434.33 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID110963148
Molecular FormulaC15H27IN6O
Molecular Weight434.33 g/mol
Exact Mass434.13
IUPAC Name4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCn1ccnc1)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C15H26N6O.HI/c1-3-17-15(18-5-4-7-19-8-6-16-13-19)21-11-9-20(10-12-21)14(2)22;/h6,8,13H,3-5,7,9-12H2,1-2H3,(H,17,18);1H
InChIKeyGIOPVASRDOUBNE-UHFFFAOYSA-N
XLogP1.02
TPSA65.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426971
4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
CID 110963136
4-benzyl-N-ethyl-N'-(2-imidazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111152407
4-acetyl-N-ethyl-N'-nonylpiperazine-1-carboximidamide;hydroiodide
CID 110963690
N-ethyl-N'-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide
CID 111243033
N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide
CID 111148161
(3R)-N-ethyl-3-hydroxy-N'-(2-imidazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 111550250
4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963138
4-acetyl-N-ethyl-N'-[4-(2-oxo-1-pyridinyl)butyl]piperazine-1-carboximidamide
CID 110962613
4-acetyl-N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpiperazine-1-carboximidamide
CID 110963601
4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 110963596
N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
CID 119115876

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide (CID 110963148) is 4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCn1ccnc1)N1CCN(C(C)=O)CC1.I.
What is the InChIKey of 4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is GIOPVASRDOUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O.HI/c1-3-17-15(18-5-4-7-19-8-6-16-13-19)21-11-9-20(10-12-21)14(2)22;/h6,8,13H,3-5,7,9-12H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide?
4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 434.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110963148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).