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

C21H22N2O3S — CID 59862913

IUPAC1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cccc(SCC(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)c1
InChIInChI=1S/C21H22N2O3S/c1-26-15-5-4-6-16(13-15)27-14-19(24)23-11-9-21(10-12-23)17-7-2-3-8-18(17)22-20(21)25/h2-8,13H,9-12,14H2,1H3,(H,22,25)
InChIKeyGQOPYDDQFSMAMF-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.30
Rot. Bonds4

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

1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 59862913) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID59862913
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cccc(SCC(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)c1
InChIInChI=1S/C21H22N2O3S/c1-26-15-5-4-6-16(13-15)27-14-19(24)23-11-9-21(10-12-23)17-7-2-3-8-18(17)22-20(21)25/h2-8,13H,9-12,14H2,1H3,(H,22,25)
InChIKeyGQOPYDDQFSMAMF-UHFFFAOYSA-N
XLogP3.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 59862913) is 1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one is COc1cccc(SCC(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)c1.
What is the InChIKey of 1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is GQOPYDDQFSMAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-26-15-5-4-6-16(13-15)27-14-19(24)23-11-9-21(10-12-23)17-7-2-3-8-18(17)22-20(21)25/h2-8,13H,9-12,14H2,1H3,(H,22,25).
What are the key properties of 1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 382.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 59862913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).