3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole

C22H24N2 — CID 84612194

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole
SMILESc1ccc(Cn2cc(C3CN4CCC3CC4)c3ccccc32)cc1
InChIInChI=1S/C22H24N2/c1-2-6-17(7-3-1)14-24-16-21(19-8-4-5-9-22(19)24)20-15-23-12-10-18(20)11-13-23/h1-9,16,18,20H,10-15H2
InChIKeyTUNSPJMQDMEKRG-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.50
Rot. Bonds3

About 3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole

3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole (PubChem CID 84612194) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole
PubChem CID84612194
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole
SMILESc1ccc(Cn2cc(C3CN4CCC3CC4)c3ccccc32)cc1
InChIInChI=1S/C22H24N2/c1-2-6-17(7-3-1)14-24-16-21(19-8-4-5-9-22(19)24)20-15-23-12-10-18(20)11-13-23/h1-9,16,18,20H,10-15H2
InChIKeyTUNSPJMQDMEKRG-UHFFFAOYSA-N
XLogP4.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole 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

3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 170557372
(2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol
CID 70694930
3-phenyl-1-azabicyclo[2.2.2]octane
CID 604334
[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 25066524
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
(3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione
CID 2219919
[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine
CID 84612219
1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole
CID 102450408
1-benzyl-3-methylindole;ethane
CID 145343697
(3R,4R)-1-(1-benzylindole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979581
2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
CID 119177873
(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 18711813

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole (CID 84612194) is 3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole is c1ccc(Cn2cc(C3CN4CCC3CC4)c3ccccc32)cc1.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole?
The InChIKey is TUNSPJMQDMEKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-2-6-17(7-3-1)14-24-16-21(19-8-4-5-9-22(19)24)20-15-23-12-10-18(20)11-13-23/h1-9,16,18,20H,10-15H2.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole?
3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole has a molecular weight of 316.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 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)-1-benzylindole is sourced from PubChem (CID 84612194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).