N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C15H27IN4O — CID 111820191

IUPACN'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCC(CC)c1cc(C/N=C(\N)N2CCCCC2)on1.I
InChIInChI=1S/C15H26N4O.HI/c1-3-12(4-2)14-10-13(20-18-14)11-17-15(16)19-8-6-5-7-9-19;/h10,12H,3-9,11H2,1-2H3,(H2,16,17);1H
InChIKeyMHRQBFGGMUUGSX-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.50
Rot. Bonds5

About N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide

N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111820191) has the molecular formula C15H27IN4O and a molecular weight of 406.31 g/mol. Its IUPAC name is N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111820191
Molecular FormulaC15H27IN4O
Molecular Weight406.31 g/mol
Exact Mass406.12
IUPAC NameN'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCC(CC)c1cc(C/N=C(\N)N2CCCCC2)on1.I
InChIInChI=1S/C15H26N4O.HI/c1-3-12(4-2)14-10-13(20-18-14)11-17-15(16)19-8-6-5-7-9-19;/h10,12H,3-9,11H2,1-2H3,(H2,16,17);1H
InChIKeyMHRQBFGGMUUGSX-UHFFFAOYSA-N
XLogP3.50
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-methyl-N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111820137
ethyl 4-[N-ethyl-N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111511256
1-(3-methylbutyl)-2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111820163
tert-butyl 4-[N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111813625
2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylguanidine
CID 111465268
N-ethyl-4-(2-hydroxyphenyl)-N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111511780
1-cyclohexyl-3-ethyl-2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111493170
1-hexyl-2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111820204
1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111676295
N'-[(2-ethyl-1,3-oxazol-5-yl)methyl]azepane-1-carboximidamide
CID 122097891
N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111510756
ethyl 4-[[N-ethyl-N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111516193

Frequently Asked Questions

What is the IUPAC name of N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111820191) is N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide is CCC(CC)c1cc(C/N=C(\N)N2CCCCC2)on1.I.
What is the InChIKey of N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is MHRQBFGGMUUGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.HI/c1-3-12(4-2)14-10-13(20-18-14)11-17-15(16)19-8-6-5-7-9-19;/h10,12H,3-9,11H2,1-2H3,(H2,16,17);1H.
What are the key properties of N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 406.31 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111820191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).