5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one

C20H20N2O2 — CID 66642723

IUPAC5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one
SMILESO=C1Nc2ccccc2C12COc1ccc(C3CCCNC3)cc12
InChIInChI=1S/C20H20N2O2/c23-19-20(15-5-1-2-6-17(15)22-19)12-24-18-8-7-13(10-16(18)20)14-4-3-9-21-11-14/h1-2,5-8,10,14,21H,3-4,9,11-12H2,(H,22,23)
InChIKeyKQVZQCPKNYYBGM-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.78
Rot. Bonds1

About 5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one

5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one (PubChem CID 66642723) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one.

Molecular Properties

Compound Name5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one
PubChem CID66642723
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one
SMILESO=C1Nc2ccccc2C12COc1ccc(C3CCCNC3)cc12
InChIInChI=1S/C20H20N2O2/c23-19-20(15-5-1-2-6-17(15)22-19)12-24-18-8-7-13(10-16(18)20)14-4-3-9-21-11-14/h1-2,5-8,10,14,21H,3-4,9,11-12H2,(H,22,23)
InChIKeyKQVZQCPKNYYBGM-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486
spiro[1H-indole-3,3'-2,7-dihydrofuro[3,2-g]chromene]-2-one
CID 67356579
spiro[1H-indole-3,3'-2,5-dihydrofuro[3,2-g]chromene]-2-one
CID 67356581
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830
spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one
CID 123384679
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine
CID 82390529
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 116988322
(3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one
CID 91594870
(2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905278
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
3-piperidin-3-ylbenzenethiol
CID 116988736

Frequently Asked Questions

What is the IUPAC name of 5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one?
The IUPAC name of 5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one (CID 66642723) is 5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one.
What is the SMILES notation for 5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one?
The canonical SMILES for 5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one is O=C1Nc2ccccc2C12COc1ccc(C3CCCNC3)cc12.
What is the InChIKey of 5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one?
The InChIKey is KQVZQCPKNYYBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19-20(15-5-1-2-6-17(15)22-19)12-24-18-8-7-13(10-16(18)20)14-4-3-9-21-11-14/h1-2,5-8,10,14,21H,3-4,9,11-12H2,(H,22,23).
What are the key properties of 5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one?
5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one has a molecular weight of 320.39 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-piperidin-3-ylspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one is sourced from PubChem (CID 66642723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).