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

C22H27N3O3 — CID 56881570

IUPAC1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O
InChIInChI=1S/C22H27N3O3/c1-15-5-4-8-19(27)25(15)12-9-18(26)24-13-10-22(11-14-24)17-7-3-2-6-16(17)20(23)21(22)28/h2-8,20-21,28H,9-14,23H2,1H3/t20-,21+/m1/s1
InChIKeyZATRYDUXPIILTK-RTWAWAEBSA-N
MW381.48 g/mol
LogP1.48
Rot. Bonds3

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

1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one (PubChem CID 56881570) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one
PubChem CID56881570
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O
InChIInChI=1S/C22H27N3O3/c1-15-5-4-8-19(27)25(15)12-9-18(26)24-13-10-22(11-14-24)17-7-3-2-6-16(17)20(23)21(22)28/h2-8,20-21,28H,9-14,23H2,1H3/t20-,21+/m1/s1
InChIKeyZATRYDUXPIILTK-RTWAWAEBSA-N
XLogP1.48
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(1R,2R)-6-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl]pyridin-2-one
CID 44383872
rel-(2R,3R)-3-amino-1'-[(2-hydroxy-6-methyl-3-pyridinyl)carbonyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56888472
N-{2-[(2R*,3R*)-3-amino-2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl]-2-oxoethyl}-2-methylpropanamide
CID 56892723
5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 56894274
(2R*,3R*)-3-amino-1'-(3-fluoro-4-methylbenzoyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56904306
N-[(2R*,3R*)-1'-isobutyl-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-methylpropanamide
CID 42168622
1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one
CID 56901781
N-[(2R*,3R*)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-phenylacetamide
CID 118759731
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-6-oxopiperidine-3-carboxamide
CID 126835386
1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one
CID 28634901
N-{(2R*,3R*)-1'-[(2E)-3-(2,3-difluorophenyl)-2-propenoyl]-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}propanamide
CID 42324599
5-fluoro-N-[(2R*,3R*)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-methylbenzamide
CID 56885392

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one (CID 56881570) is 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O.
What is the InChIKey of 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The InChIKey is ZATRYDUXPIILTK-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-5-4-8-19(27)25(15)12-9-18(26)24-13-10-22(11-14-24)17-7-3-2-6-16(17)20(23)21(22)28/h2-8,20-21,28H,9-14,23H2,1H3/t20-,21+/m1/s1.
What are the key properties of 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one?
1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one has a molecular weight of 381.48 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one is sourced from PubChem (CID 56881570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).