N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

C18H26FIN6O — CID 111149157

IUPACN-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1nc(C)no1)N1CCN(c2ccccc2F)CC1.I
InChIInChI=1S/C18H25FN6O.HI/c1-3-20-18(21-9-8-17-22-14(2)23-26-17)25-12-10-24(11-13-25)16-7-5-4-6-15(16)19;/h4-7H,3,8-13H2,1-2H3,(H,20,21);1H
InChIKeyRMWDYIXNBZXLMG-UHFFFAOYSA-N
MW488.35 g/mol
LogP2.47
Rot. Bonds5

About N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111149157) has the molecular formula C18H26FIN6O and a molecular weight of 488.35 g/mol. Its IUPAC name is N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111149157
Molecular FormulaC18H26FIN6O
Molecular Weight488.35 g/mol
Exact Mass488.12
IUPAC NameN-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1nc(C)no1)N1CCN(c2ccccc2F)CC1.I
InChIInChI=1S/C18H25FN6O.HI/c1-3-20-18(21-9-8-17-22-14(2)23-26-17)25-12-10-24(11-13-25)16-7-5-4-6-15(16)19;/h4-7H,3,8-13H2,1-2H3,(H,20,21);1H
InChIKeyRMWDYIXNBZXLMG-UHFFFAOYSA-N
XLogP2.47
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-ethyl-4-(2-fluorophenyl)-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboximidamide
CID 111148403
N-ethyl-4-(2-methoxyphenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide
CID 111133787
4-(2-fluorophenyl)-N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148870
4-(5-chloro-2-methylphenyl)-N-ethyl-N'-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide
CID 111264105
4-benzylidene-N-ethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109415597
N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111148720
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide
CID 110962139
N-ethyl-4-(2-fluorophenyl)-N'-[2-(methanesulfonamido)ethyl]piperazine-1-carboximidamide
CID 111148643
N-ethyl-4-(2-fluorophenyl)-N'-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111149241
N-ethyl-4-(2-fluorophenyl)-N'-(3-propan-2-yloxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111148462
N-ethyl-4-(2-fluorophenyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111149023
4-ethoxy-N-ethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111960888

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (CID 111149157) is N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1nc(C)no1)N1CCN(c2ccccc2F)CC1.I.
What is the InChIKey of N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is RMWDYIXNBZXLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6O.HI/c1-3-20-18(21-9-8-17-22-14(2)23-26-17)25-12-10-24(11-13-25)16-7-5-4-6-15(16)19;/h4-7H,3,8-13H2,1-2H3,(H,20,21);1H.
What are the key properties of N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 488.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111149157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).