1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

C22H24N2O2 — CID 146415258

IUPAC1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC(c1ccc2c(c1)OCC2)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H24N2O2/c1-15(17-7-6-16-8-13-26-20(16)14-17)24-11-9-22(10-12-24)18-4-2-3-5-19(18)23-21(22)25/h2-7,14-15H,8-13H2,1H3,(H,23,25)
InChIKeyILLAMTCYOQOQMJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.67
Rot. Bonds2

About 1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 146415258) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID146415258
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC(c1ccc2c(c1)OCC2)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H24N2O2/c1-15(17-7-6-16-8-13-26-20(16)14-17)24-11-9-22(10-12-24)18-4-2-3-5-19(18)23-21(22)25/h2-7,14-15H,8-13H2,1H3,(H,23,25)
InChIKeyILLAMTCYOQOQMJ-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 146415258) is 1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is CC(c1ccc2c(c1)OCC2)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is ILLAMTCYOQOQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15(17-7-6-16-8-13-26-20(16)14-17)24-11-9-22(10-12-24)18-4-2-3-5-19(18)23-21(22)25/h2-7,14-15H,8-13H2,1H3,(H,23,25).
What are the key properties of 1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146415258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).