3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one

C20H22N2O3 — CID 156793478

IUPAC3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC3(Cc4ccccc4C3)C(O)C2)c(=O)[nH]1
InChIInChI=1S/C20H22N2O3/c1-13-6-7-16(18(24)21-13)19(25)22-9-8-20(17(23)12-22)10-14-4-2-3-5-15(14)11-20/h2-7,17,23H,8-12H2,1H3,(H,21,24)
InChIKeyWWFNNOMMFDOQER-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.68
Rot. Bonds1

About 3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one

3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one (PubChem CID 156793478) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one
PubChem CID156793478
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC3(Cc4ccccc4C3)C(O)C2)c(=O)[nH]1
InChIInChI=1S/C20H22N2O3/c1-13-6-7-16(18(24)21-13)19(25)22-9-8-20(17(23)12-22)10-14-4-2-3-5-15(14)11-20/h2-7,17,23H,8-12H2,1H3,(H,21,24)
InChIKeyWWFNNOMMFDOQER-UHFFFAOYSA-N
XLogP1.68
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one (CID 156793478) is 3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCC3(Cc4ccccc4C3)C(O)C2)c(=O)[nH]1.
What is the InChIKey of 3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is WWFNNOMMFDOQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-6-7-16(18(24)21-13)19(25)22-9-8-20(17(23)12-22)10-14-4-2-3-5-15(14)11-20/h2-7,17,23H,8-12H2,1H3,(H,21,24).
What are the key properties of 3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one?
3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 156793478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).