3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one

C15H18N2O2 — CID 22931048

IUPAC3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one
SMILESCc1cccc2c(=O)[nH]c(N3CCC(O)CC3)cc12
InChIInChI=1S/C15H18N2O2/c1-10-3-2-4-12-13(10)9-14(16-15(12)19)17-7-5-11(18)6-8-17/h2-4,9,11,18H,5-8H2,1H3,(H,16,19)
InChIKeyRYPGXDRZOGERKV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.80
Rot. Bonds1

About 3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one

3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one (PubChem CID 22931048) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one
PubChem CID22931048
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one
SMILESCc1cccc2c(=O)[nH]c(N3CCC(O)CC3)cc12
InChIInChI=1S/C15H18N2O2/c1-10-3-2-4-12-13(10)9-14(16-15(12)19)17-7-5-11(18)6-8-17/h2-4,9,11,18H,5-8H2,1H3,(H,16,19)
InChIKeyRYPGXDRZOGERKV-UHFFFAOYSA-N
XLogP1.80
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-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

3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one
CID 10378544
3-[1-(3-hydroxypropyl)piperidin-4-yl]-5-methyl-2H-isoquinolin-1-one
CID 10040472
3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one
CID 11717523
5-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2H-isoquinolin-1-one
CID 22931226
3-[2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one
CID 58863435
3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one
CID 10357458
methyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517663
3-(aminomethyl)-5-methyl-2H-isoquinolin-1-one
CID 84618695
4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)-N-pyrrolidin-3-ylbenzamide
CID 122626915
3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione
CID 22971523
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116
ethyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 165441491

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one (CID 22931048) is 3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one is Cc1cccc2c(=O)[nH]c(N3CCC(O)CC3)cc12.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one?
The InChIKey is RYPGXDRZOGERKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-3-2-4-12-13(10)9-14(16-15(12)19)17-7-5-11(18)6-8-17/h2-4,9,11,18H,5-8H2,1H3,(H,16,19).
What are the key properties of 3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one?
3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one has a molecular weight of 258.32 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)-5-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 22931048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).