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

C19H21N3O3 — CID 56904892

IUPAC3-[(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[nH]c3=O)CC2)[C@H]1O
InChIInChI=1S/C19H21N3O3/c20-15-12-4-1-2-6-14(12)19(16(15)23)7-10-22(11-8-19)18(25)13-5-3-9-21-17(13)24/h1-6,9,15-16,23H,7-8,10-11,20H2,(H,21,24)/t15-,16+/m1/s1
InChIKeyCEHSYMWBXBNEGG-CVEARBPZSA-N
MW339.40 g/mol
LogP0.92
Rot. Bonds1

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

3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one (PubChem CID 56904892) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
PubChem CID56904892
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[(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[nH]c3=O)CC2)[C@H]1O
InChIInChI=1S/C19H21N3O3/c20-15-12-4-1-2-6-14(12)19(16(15)23)7-10-22(11-8-19)18(25)13-5-3-9-21-17(13)24/h1-6,9,15-16,23H,7-8,10-11,20H2,(H,21,24)/t15-,16+/m1/s1
InChIKeyCEHSYMWBXBNEGG-CVEARBPZSA-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

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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
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
1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one
CID 56901781
3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 95724033
N-[(2R*,3R*)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-phenylacetamide
CID 118759731
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
(2R*,3R*)-3-amino-1'-[(2,6-difluorophenyl)acetyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56888401
3-(2-fluorophenyl)-N-[(2R*,3R*)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]propanamide
CID 56891188
N-[(1R,2R)-1'-[3-(2,3-difluorophenyl)prop-2-enoyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 91939961

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one (CID 56904892) is 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(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[nH]c3=O)CC2)[C@H]1O.
What is the InChIKey of 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one?
The InChIKey is CEHSYMWBXBNEGG-CVEARBPZSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-15-12-4-1-2-6-14(12)19(16(15)23)7-10-22(11-8-19)18(25)13-5-3-9-21-17(13)24/h1-6,9,15-16,23H,7-8,10-11,20H2,(H,21,24)/t15-,16+/m1/s1.
What are the key properties of 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one?
3-[(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 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56904892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).