3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole

C17H22N2O — CID 15157668

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole
SMILESCOc1ccc2[nH]c(C)c(C3CN4CCC3CC4)c2c1
InChIInChI=1S/C17H22N2O/c1-11-17(15-10-19-7-5-12(15)6-8-19)14-9-13(20-2)3-4-16(14)18-11/h3-4,9,12,15,18H,5-8,10H2,1-2H3
InChIKeyCHVQOPBCMUKANZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.29
Rot. Bonds2

About 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole

3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole (PubChem CID 15157668) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole
PubChem CID15157668
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole
SMILESCOc1ccc2[nH]c(C)c(C3CN4CCC3CC4)c2c1
InChIInChI=1S/C17H22N2O/c1-11-17(15-10-19-7-5-12(15)6-8-19)14-9-13(20-2)3-4-16(14)18-11/h3-4,9,12,15,18H,5-8,10H2,1-2H3
InChIKeyCHVQOPBCMUKANZ-UHFFFAOYSA-N
XLogP3.29
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-methoxy-2-methyl-1H-indole
CID 15157680
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octane
CID 19802591
3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole
CID 21313343
5-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenoxy]-2-methyl-3-phenyl-1H-indole
CID 11258796
7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
CID 164872491
3-(2,5-dimethoxyphenyl)-1-azabicyclo[2.2.2]octane;oxalic acid
CID 19802571
5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride
CID 157226928
5-(5-methoxy-2-methyl-1H-indol-3-yl)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 67794349
8-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(6-methoxy-1H-indol-3-yl)methyl]-3,6-dihydropyrrolo[3,2-e]benzimidazole;hydrochloride
CID 69278909
5-methoxy-2-methyl-3-phenyl-1H-indole
CID 11564934
[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl] acetate
CID 15157701
2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3586267

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole (CID 15157668) is 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole is COc1ccc2[nH]c(C)c(C3CN4CCC3CC4)c2c1.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole?
The InChIKey is CHVQOPBCMUKANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-17(15-10-19-7-5-12(15)6-8-19)14-9-13(20-2)3-4-16(14)18-11/h3-4,9,12,15,18H,5-8,10H2,1-2H3.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole?
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole has a molecular weight of 270.38 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-2-methyl-1H-indole is sourced from PubChem (CID 15157668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).