5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one

C20H23N3O3 — CID 56883706

IUPAC5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)cc1O)N1CCCC(N2CCc3ccccc3C2)C1
InChIInChI=1S/C20H23N3O3/c24-18-10-19(25)21-11-17(18)20(26)23-8-3-6-16(13-23)22-9-7-14-4-1-2-5-15(14)12-22/h1-2,4-5,10-11,16H,3,6-9,12-13H2,(H2,21,24,25)
InChIKeyOQSFZWWMRJFSJL-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.74
Rot. Bonds2

About 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one

5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one (PubChem CID 56883706) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
PubChem CID56883706
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)cc1O)N1CCCC(N2CCc3ccccc3C2)C1
InChIInChI=1S/C20H23N3O3/c24-18-10-19(25)21-11-17(18)20(26)23-8-3-6-16(13-23)22-9-7-14-4-1-2-5-15(14)12-22/h1-2,4-5,10-11,16H,3,6-9,12-13H2,(H2,21,24,25)
InChIKeyOQSFZWWMRJFSJL-UHFFFAOYSA-N
XLogP1.74
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one with MolForge

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Related Compounds

2-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95719935
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
CID 56891876
[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 95718259
(2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
CID 121017117
5-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 95502942
(4-chlorophenyl)-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]methanone
CID 124711067
[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 124711878
[3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 91814665
4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56747717
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
CID 121153393
2-cyclopropyl-1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]ethanone
CID 121153583
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone
CID 119103450

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one (CID 56883706) is 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one is O=C(c1c[nH]c(=O)cc1O)N1CCCC(N2CCc3ccccc3C2)C1.
What is the InChIKey of 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The InChIKey is OQSFZWWMRJFSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-18-10-19(25)21-11-17(18)20(26)23-8-3-6-16(13-23)22-9-7-14-4-1-2-5-15(14)12-22/h1-2,4-5,10-11,16H,3,6-9,12-13H2,(H2,21,24,25).
What are the key properties of 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one has a molecular weight of 353.42 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 56883706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).