N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide

C20H30IN5O2 — CID 111036191

IUPACN'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide
SMILESCOc1ccc(-c2noc(CCCCC/N=C(\N)N3CCCCC3)n2)cc1.I
InChIInChI=1S/C20H29N5O2.HI/c1-26-17-11-9-16(10-12-17)19-23-18(27-24-19)8-4-2-5-13-22-20(21)25-14-6-3-7-15-25;/h9-12H,2-8,13-15H2,1H3,(H2,21,22);1H
InChIKeyIISNOHQBHASAPP-UHFFFAOYSA-N
MW499.40 g/mol
LogP3.88
Rot. Bonds8

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

N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111036191) has the molecular formula C20H30IN5O2 and a molecular weight of 499.40 g/mol. Its IUPAC name is N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111036191
Molecular FormulaC20H30IN5O2
Molecular Weight499.40 g/mol
Exact Mass499.14
IUPAC NameN'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide
SMILESCOc1ccc(-c2noc(CCCCC/N=C(\N)N3CCCCC3)n2)cc1.I
InChIInChI=1S/C20H29N5O2.HI/c1-26-17-11-9-16(10-12-17)19-23-18(27-24-19)8-4-2-5-13-22-20(21)25-14-6-3-7-15-25;/h9-12H,2-8,13-15H2,1H3,(H2,21,22);1H
InChIKeyIISNOHQBHASAPP-UHFFFAOYSA-N
XLogP3.88
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]thiomorpholine-4-carboximidamide
CID 111036184
N-ethyl-N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955613
1-butyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]guanidine;hydroiodide
CID 111036153
4-acetyl-N-ethyl-N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperazine-1-carboximidamide;hydroiodide
CID 110962820
1-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111036173
1-(3-methoxyphenyl)-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]guanidine;hydroiodide
CID 111036145
N-ethyl-3-(methoxymethyl)-N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]pyrrolidine-1-carboximidamide
CID 111735763
1-(azepan-1-yl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone
CID 60585567
1-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471740
1-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626413
1-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111626414
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416

Frequently Asked Questions

What is the IUPAC name of N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide (CID 111036191) is N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide is COc1ccc(-c2noc(CCCCC/N=C(\N)N3CCCCC3)n2)cc1.I.
What is the InChIKey of N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is IISNOHQBHASAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2.HI/c1-26-17-11-9-16(10-12-17)19-23-18(27-24-19)8-4-2-5-13-22-20(21)25-14-6-3-7-15-25;/h9-12H,2-8,13-15H2,1H3,(H2,21,22);1H.
What are the key properties of N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide?
N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 499.40 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111036191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).