3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one

C16H20N2O2 — CID 62357366

IUPAC3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one
SMILESO=c1[nH]c(OCCC2CCCNC2)cc2ccccc12
InChIInChI=1S/C16H20N2O2/c19-16-14-6-2-1-5-13(14)10-15(18-16)20-9-7-12-4-3-8-17-11-12/h1-2,5-6,10,12,17H,3-4,7-9,11H2,(H,18,19)
InChIKeyYZTZUOIUZOZVPP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.30
Rot. Bonds4

About 3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one

3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one (PubChem CID 62357366) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one
PubChem CID62357366
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one
SMILESO=c1[nH]c(OCCC2CCCNC2)cc2ccccc12
InChIInChI=1S/C16H20N2O2/c19-16-14-6-2-1-5-13(14)10-15(18-16)20-9-7-12-4-3-8-17-11-12/h1-2,5-6,10,12,17H,3-4,7-9,11H2,(H,18,19)
InChIKeyYZTZUOIUZOZVPP-UHFFFAOYSA-N
XLogP2.30
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-piperidinyl)-1(2H)-Isoquinolinone
CID 22931182
N-[(2,6-dimethyloxan-4-yl)methyl]-2-(1-oxoisoquinolin-2-yl)propanamide
CID 136542842
7-fluoro-3-(3-piperidin-1-ylpropoxy)-2H-isoquinolin-1-one
CID 67970070
3-Piperidylisoquinolone
CID 73439560
N-boc-3-(4-piperidyl)isoquinolin-1-one
CID 129798661
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(oxan-4-ylmethyl)benzamide
CID 63705930
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(oxan-4-ylmethyl)benzamide
CID 63706102
N-[3-(oxan-4-yl)propyl]-2-(trifluoromethyl)benzamide
CID 108459324
4-fluoro-2-methyl-N-[2-(tetrahydro-2H-pyran-3-yl)ethyl]benzamide
CID 122563663
4-fluoro-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]benzamide
CID 125434861
4-fluoro-2-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 125434862
3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one
CID 10333441

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one?
The IUPAC name of 3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one (CID 62357366) is 3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one.
What is the SMILES notation for 3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one?
The canonical SMILES for 3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one is O=c1[nH]c(OCCC2CCCNC2)cc2ccccc12.
What is the InChIKey of 3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one?
The InChIKey is YZTZUOIUZOZVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16-14-6-2-1-5-13(14)10-15(18-16)20-9-7-12-4-3-8-17-11-12/h1-2,5-6,10,12,17H,3-4,7-9,11H2,(H,18,19).
What are the key properties of 3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one?
3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one has a molecular weight of 272.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one is sourced from PubChem (CID 62357366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).