1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one

C20H19FN2O2S — CID 59862924

IUPAC1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(CSc1ccc(F)cc1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H19FN2O2S/c21-14-5-7-15(8-6-14)26-13-18(24)23-11-9-20(10-12-23)16-3-1-2-4-17(16)22-19(20)25/h1-8H,9-13H2,(H,22,25)
InChIKeyBSTFPXHVKJCUSX-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.43
Rot. Bonds3

About 1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 59862924) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID59862924
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(CSc1ccc(F)cc1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H19FN2O2S/c21-14-5-7-15(8-6-14)26-13-18(24)23-11-9-20(10-12-23)16-3-1-2-4-17(16)22-19(20)25/h1-8H,9-13H2,(H,22,25)
InChIKeyBSTFPXHVKJCUSX-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 59862924) is 1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one is O=C(CSc1ccc(F)cc1)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is BSTFPXHVKJCUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c21-14-5-7-15(8-6-14)26-13-18(24)23-11-9-20(10-12-23)16-3-1-2-4-17(16)22-19(20)25/h1-8H,9-13H2,(H,22,25).
What are the key properties of 1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 370.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 59862924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).