1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone

C23H31FN2O — CID 59433070

IUPAC1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
SMILESCC(=O)N1CC2(CCN(CC3CC4CCC3CC4)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H31FN2O/c1-16(27)26-15-23(21-13-20(24)6-7-22(21)26)8-10-25(11-9-23)14-19-12-17-2-4-18(19)5-3-17/h6-7,13,17-19H,2-5,8-12,14-15H2,1H3
InChIKeyBTAGWLUNXBKWSJ-UHFFFAOYSA-N
MW370.51 g/mol
LogP4.35
Rot. Bonds2

About 1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone

1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (PubChem CID 59433070) has the molecular formula C23H31FN2O and a molecular weight of 370.51 g/mol. Its IUPAC name is 1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.

Molecular Properties

Compound Name1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
PubChem CID59433070
Molecular FormulaC23H31FN2O
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC Name1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
SMILESCC(=O)N1CC2(CCN(CC3CC4CCC3CC4)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H31FN2O/c1-16(27)26-15-23(21-13-20(24)6-7-22(21)26)8-10-25(11-9-23)14-19-12-17-2-4-18(19)5-3-17/h6-7,13,17-19H,2-5,8-12,14-15H2,1H3
InChIKeyBTAGWLUNXBKWSJ-UHFFFAOYSA-N
XLogP4.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The IUPAC name of 1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (CID 59433070) is 1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.
What is the SMILES notation for 1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The canonical SMILES for 1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is CC(=O)N1CC2(CCN(CC3CC4CCC3CC4)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The InChIKey is BTAGWLUNXBKWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O/c1-16(27)26-15-23(21-13-20(24)6-7-22(21)26)8-10-25(11-9-23)14-19-12-17-2-4-18(19)5-3-17/h6-7,13,17-19H,2-5,8-12,14-15H2,1H3.
What are the key properties of 1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone has a molecular weight of 370.51 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is sourced from PubChem (CID 59433070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).