5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one

C19H21N3O3 — CID 56894274

IUPAC5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
SMILESN[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)[C@H]1O
InChIInChI=1S/C19H21N3O3/c20-16-13-3-1-2-4-14(13)19(17(16)24)7-9-22(10-8-19)18(25)12-5-6-15(23)21-11-12/h1-6,11,16-17,24H,7-10,20H2,(H,21,23)/t16-,17+/m1/s1
InChIKeyKTRQEUMEHHWZOP-SJORKVTESA-N
MW339.40 g/mol
LogP0.92
Rot. Bonds1

About 5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one

5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one (PubChem CID 56894274) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
PubChem CID56894274
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
SMILESN[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)[C@H]1O
InChIInChI=1S/C19H21N3O3/c20-16-13-3-1-2-4-14(13)19(17(16)24)7-9-22(10-8-19)18(25)12-5-6-15(23)21-11-12/h1-6,11,16-17,24H,7-10,20H2,(H,21,23)/t16-,17+/m1/s1
InChIKeyKTRQEUMEHHWZOP-SJORKVTESA-N
XLogP0.92
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-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-[(2-methoxyethyl)(methyl)amino]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 28957610
rel-(2R,3R)-3-[(3-methoxypropyl)(methyl)amino]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 31161860
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
(2R*,3R*)-3-amino-1'-(3-fluoro-4-methylbenzoyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56904306
N-[rel-(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-3-methylbutanamide hydrochloride
CID 70755933
1-acetyl-N-[rel-(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-4-piperidinecarboxamide hydrochloride
CID 70771175
2-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-azaspiro[4.4]nonan-3-one
CID 28465119
N-[(2R*,3R*)-1'-isobutyl-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-methylpropanamide
CID 42168622
N-{(2R*,3R*)-1'-[(2E)-3-(4-fluorophenyl)-2-propenoyl]-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}benzamide
CID 42274452
N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 42320343

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one (CID 56894274) is 5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one is N[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)[C@H]1O.
What is the InChIKey of 5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one?
The InChIKey is KTRQEUMEHHWZOP-SJORKVTESA-N. The full InChI is InChI=1S/C19H21N3O3/c20-16-13-3-1-2-4-14(13)19(17(16)24)7-9-22(10-8-19)18(25)12-5-6-15(23)21-11-12/h1-6,11,16-17,24H,7-10,20H2,(H,21,23)/t16-,17+/m1/s1.
What are the key properties of 5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one?
5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one has a molecular weight of 339.40 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56894274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).