1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one

C22H26N2O3 — CID 56883596

IUPAC1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C22H26N2O3/c1-16-5-4-8-21(27)24(16)12-9-20(26)23-13-10-22(11-14-23)18-7-3-2-6-17(18)15-19(22)25/h2-8,19,25H,9-15H2,1H3
InChIKeyYLTHOQDBNKTXSX-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.02
Rot. Bonds3

About 1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one

1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one (PubChem CID 56883596) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one
PubChem CID56883596
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C22H26N2O3/c1-16-5-4-8-21(27)24(16)12-9-20(26)23-13-10-22(11-14-23)18-7-3-2-6-17(18)15-19(22)25/h2-8,19,25H,9-15H2,1H3
InChIKeyYLTHOQDBNKTXSX-UHFFFAOYSA-N
XLogP2.02
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one (CID 56883596) is 1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCC(=O)N1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of 1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one?
The InChIKey is YLTHOQDBNKTXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-5-4-8-21(27)24(16)12-9-20(26)23-13-10-22(11-14-23)18-7-3-2-6-17(18)15-19(22)25/h2-8,19,25H,9-15H2,1H3.
What are the key properties of 1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one?
1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one has a molecular weight of 366.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]-6-methylpyridin-2-one is sourced from PubChem (CID 56883596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).