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

C22H26N2O3 — CID 95708384

IUPAC1-[3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O
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/t19-/m1/s1
InChIKeyYLTHOQDBNKTXSX-LJQANCHMSA-N
MW366.46 g/mol
LogP2.02
Rot. Bonds3

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

1-[3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one (PubChem CID 95708384) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one
PubChem CID95708384
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O
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/t19-/m1/s1
InChIKeyYLTHOQDBNKTXSX-LJQANCHMSA-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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Related Compounds

rel-(2R,3R)-3-amino-1'-[(2-hydroxy-6-methyl-3-pyridinyl)carbonyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56888472
5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 56894274
1'-[3-(1-Piperazinyl)propanoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56909026
3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 95724033
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 97281997
1-{3-[(2R*,3R*)-3-amino-2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl]-3-oxopropyl}-6-methyl-2(1H)-pyridinone
CID 56881570
3-(3'-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carbonyl)-6-methyl-1H-pyridin-2-one
CID 156793478
5-[(1Z)-buta-1,3-dienyl]-4-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)piperidin-1-yl]-1,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 169972077
3-(2-Hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid
CID 170165007
2'-Tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 172689101
4-{[(2R*,3R*)-3-(dimethylamino)-2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl]carbonyl}-6-methyl-2(1H)-pyridinone
CID 28464246
1-[3-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-3-oxopropyl]-6-methyl-2(1H)-pyridinone
CID 56883596

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one (CID 95708384) is 1-[3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCC(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O.
What is the InChIKey of 1-[3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The InChIKey is YLTHOQDBNKTXSX-LJQANCHMSA-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/t19-/m1/s1.
What are the key properties of 1-[3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one?
1-[3-[(2R)-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-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one is sourced from PubChem (CID 95708384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).