1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone

C21H19NO2S — CID 25210797

IUPAC1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C21H19NO2S/c23-20(19-13-15-5-2-4-8-18(15)25-19)22-11-9-21(10-12-22)17-7-3-1-6-16(17)14-24-21/h1-8,13H,9-12,14H2
InChIKeyOOLWSLGEGKZCCK-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.56
Rot. Bonds1

About 1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone

1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone (PubChem CID 25210797) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone
PubChem CID25210797
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C21H19NO2S/c23-20(19-13-15-5-2-4-8-18(15)25-19)22-11-9-21(10-12-22)17-7-3-1-6-16(17)14-24-21/h1-8,13H,9-12,14H2
InChIKeyOOLWSLGEGKZCCK-UHFFFAOYSA-N
XLogP4.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone (CID 25210797) is 1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone is O=C(c1cc2ccccc2s1)N1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is OOLWSLGEGKZCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c23-20(19-13-15-5-2-4-8-18(15)25-19)22-11-9-21(10-12-22)17-7-3-1-6-16(17)14-24-21/h1-8,13H,9-12,14H2.
What are the key properties of 1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone?
1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 349.46 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 25210797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).