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

C14H26IN5O2 — CID 111960298

IUPAC4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCCc2nc(C)no2)CC1.I
InChIInChI=1S/C14H25N5O2.HI/c1-4-20-12-6-9-19(10-7-12)14(15-3)16-8-5-13-17-11(2)18-21-13;/h12H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyOBFXIOPZBJWQPU-UHFFFAOYSA-N
MW423.30 g/mol
LogP1.61
Rot. Bonds5

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

4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111960298) has the molecular formula C14H26IN5O2 and a molecular weight of 423.30 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111960298
Molecular FormulaC14H26IN5O2
Molecular Weight423.30 g/mol
Exact Mass423.11
IUPAC Name4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCCc2nc(C)no2)CC1.I
InChIInChI=1S/C14H25N5O2.HI/c1-4-20-12-6-9-19(10-7-12)14(15-3)16-8-5-13-17-11(2)18-21-13;/h12H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyOBFXIOPZBJWQPU-UHFFFAOYSA-N
XLogP1.61
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 51.61
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

4-ethoxy-N-ethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111960888
N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111210780
N'-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111743684
4-ethoxy-N-[2-(5-iodothiophen-2-yl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959310
4-ethoxy-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111960514
N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744445
N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109449202
tert-butyl N-[1-[N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730893
4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide
CID 111959969
4-benzyl-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide
CID 110959923
4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111959434
4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide
CID 111960671

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111960298) is 4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N/C)NCCc2nc(C)no2)CC1.I.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is OBFXIOPZBJWQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2.HI/c1-4-20-12-6-9-19(10-7-12)14(15-3)16-8-5-13-17-11(2)18-21-13;/h12H,4-10H2,1-3H3,(H,15,16);1H.
What are the key properties of 4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 423.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111960298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).