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

C21H25N3O3 — CID 56896466

IUPAC1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]pyridin-2-one
SMILESN[C@@H]1c2ccccc2C2(CCN(C(=O)CCn3ccccc3=O)CC2)[C@H]1O
InChIInChI=1S/C21H25N3O3/c22-19-15-5-1-2-6-16(15)21(20(19)27)9-13-24(14-10-21)18(26)8-12-23-11-4-3-7-17(23)25/h1-7,11,19-20,27H,8-10,12-14,22H2/t19-,20+/m1/s1
InChIKeyXQSIYBDRNNUQAO-UXHICEINSA-N
MW367.45 g/mol
LogP1.17
Rot. Bonds3

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

1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 56896466) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]pyridin-2-one
PubChem CID56896466
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]pyridin-2-one
SMILESN[C@@H]1c2ccccc2C2(CCN(C(=O)CCn3ccccc3=O)CC2)[C@H]1O
InChIInChI=1S/C21H25N3O3/c22-19-15-5-1-2-6-16(15)21(20(19)27)9-13-24(14-10-21)18(26)8-12-23-11-4-3-7-17(23)25/h1-7,11,19-20,27H,8-10,12-14,22H2/t19-,20+/m1/s1
InChIKeyXQSIYBDRNNUQAO-UXHICEINSA-N
XLogP1.17
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.17
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]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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
(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

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]pyridin-2-one?
The IUPAC name of 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]pyridin-2-one (CID 56896466) is 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]pyridin-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]pyridin-2-one?
The canonical SMILES for 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]pyridin-2-one is N[C@@H]1c2ccccc2C2(CCN(C(=O)CCn3ccccc3=O)CC2)[C@H]1O.
What is the InChIKey of 1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is XQSIYBDRNNUQAO-UXHICEINSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-19-15-5-1-2-6-16(15)21(20(19)27)9-13-24(14-10-21)18(26)8-12-23-11-4-3-7-17(23)25/h1-7,11,19-20,27H,8-10,12-14,22H2/t19-,20+/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]pyridin-2-one?
1-[3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 367.45 g/mol, XLogP of 1.17, 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]pyridin-2-one is sourced from PubChem (CID 56896466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).