N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide

C18H31N5O2 — CID 124886897

IUPACN'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide
SMILESC[C@@H]1CCC[C@@H](C)N1C/C(N)=N\OCc1noc(C2CCCCC2)n1
InChIInChI=1S/C18H31N5O2/c1-13-7-6-8-14(2)23(13)11-16(19)21-24-12-17-20-18(25-22-17)15-9-4-3-5-10-15/h13-15H,3-12H2,1-2H3,(H2,19,21)/t13-,14-/m1/s1
InChIKeyJDGZXYJNUOIAQT-ZIAGYGMSSA-N
MW349.48 g/mol
LogP3.17
Rot. Bonds6

About N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide

N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide (PubChem CID 124886897) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide
PubChem CID124886897
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide
SMILESC[C@@H]1CCC[C@@H](C)N1C/C(N)=N\OCc1noc(C2CCCCC2)n1
InChIInChI=1S/C18H31N5O2/c1-13-7-6-8-14(2)23(13)11-16(19)21-24-12-17-20-18(25-22-17)15-9-4-3-5-10-15/h13-15H,3-12H2,1-2H3,(H2,19,21)/t13-,14-/m1/s1
InChIKeyJDGZXYJNUOIAQT-ZIAGYGMSSA-N
XLogP3.17
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid
CID 136555542
2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide
CID 126817139
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
5-[(4Z)-cyclooct-4-en-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 167847157
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate
CID 166279946
[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 121496539
cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine
CID 58477049
trans-methyl (1R,2R)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate
CID 99716354
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 75436511
2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826978

Frequently Asked Questions

What is the IUPAC name of N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide?
The IUPAC name of N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide (CID 124886897) is N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide.
What is the SMILES notation for N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide?
The canonical SMILES for N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide is C[C@@H]1CCC[C@@H](C)N1C/C(N)=N\OCc1noc(C2CCCCC2)n1.
What is the InChIKey of N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide?
The InChIKey is JDGZXYJNUOIAQT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-13-7-6-8-14(2)23(13)11-16(19)21-24-12-17-20-18(25-22-17)15-9-4-3-5-10-15/h13-15H,3-12H2,1-2H3,(H2,19,21)/t13-,14-/m1/s1.
What are the key properties of N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide?
N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide has a molecular weight of 349.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide is sourced from PubChem (CID 124886897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).