2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone

C21H27FN2O — CID 119765165

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
SMILESO=C(CC1CC2CCC(C1)N2)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C21H27FN2O/c22-17-4-3-5-18-20(17)21(8-1-2-9-21)13-24(18)19(25)12-14-10-15-6-7-16(11-14)23-15/h3-5,14-16,23H,1-2,6-13H2
InChIKeyFIOMLCRWPPIQOE-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.90
Rot. Bonds2

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone (PubChem CID 119765165) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
PubChem CID119765165
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
SMILESO=C(CC1CC2CCC(C1)N2)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C21H27FN2O/c22-17-4-3-5-18-20(17)21(8-1-2-9-21)13-24(18)19(25)12-14-10-15-6-7-16(11-14)23-15/h3-5,14-16,23H,1-2,6-13H2
InChIKeyFIOMLCRWPPIQOE-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone (CID 119765165) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone is O=C(CC1CC2CCC(C1)N2)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone?
The InChIKey is FIOMLCRWPPIQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c22-17-4-3-5-18-20(17)21(8-1-2-9-21)13-24(18)19(25)12-14-10-15-6-7-16(11-14)23-15/h3-5,14-16,23H,1-2,6-13H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone has a molecular weight of 342.46 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone is sourced from PubChem (CID 119765165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).