3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide

C20H27N3O — CID 83985883

IUPAC3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide
SMILESCC(Cc1c(C2CN3CCC2CC3)n(C)c2ccccc12)C(N)=O
InChIInChI=1S/C20H27N3O/c1-13(20(21)24)11-16-15-5-3-4-6-18(15)22(2)19(16)17-12-23-9-7-14(17)8-10-23/h3-6,13-14,17H,7-12H2,1-2H3,(H2,21,24)
InChIKeyLVKGFZFXMZHHSD-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.65
Rot. Bonds4

About 3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide

3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide (PubChem CID 83985883) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide
PubChem CID83985883
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide
SMILESCC(Cc1c(C2CN3CCC2CC3)n(C)c2ccccc12)C(N)=O
InChIInChI=1S/C20H27N3O/c1-13(20(21)24)11-16-15-5-3-4-6-18(15)22(2)19(16)17-12-23-9-7-14(17)8-10-23/h3-6,13-14,17H,7-12H2,1-2H3,(H2,21,24)
InChIKeyLVKGFZFXMZHHSD-UHFFFAOYSA-N
XLogP2.65
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]propanoate
CID 83985873
1-methyl-3-(2-methylpropyl)indole-2-carboxamide
CID 173435951
2-[[2-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-3-yl]methyl]butanoic acid
CID 83985915
3-(2-amino-2-oxoethyl)-1-methylindole-2-carboxylic acid
CID 12826450
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole
CID 84612194
(2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide
CID 67060652
2-cycloheptyl-1-methylindole-3-carboxylic acid
CID 69072788
3-phenyl-1-azabicyclo[2.2.2]octane
CID 604334
3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-3-yl]propanoic acid
CID 83985900
2-amino-3-[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]propanoic acid
CID 170879482

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide?
The IUPAC name of 3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide (CID 83985883) is 3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide?
The canonical SMILES for 3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide is CC(Cc1c(C2CN3CCC2CC3)n(C)c2ccccc12)C(N)=O.
What is the InChIKey of 3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide?
The InChIKey is LVKGFZFXMZHHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(20(21)24)11-16-15-5-3-4-6-18(15)22(2)19(16)17-12-23-9-7-14(17)8-10-23/h3-6,13-14,17H,7-12H2,1-2H3,(H2,21,24).
What are the key properties of 3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide?
3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide has a molecular weight of 325.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 83985883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).