6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one

C17H22N2O2 — CID 82151396

IUPAC6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one
SMILESCOc1ccc2c(=O)n(CCC3CCCCN3)ccc2c1
InChIInChI=1S/C17H22N2O2/c1-21-15-5-6-16-13(12-15)7-10-19(17(16)20)11-8-14-4-2-3-9-18-14/h5-7,10,12,14,18H,2-4,8-9,11H2,1H3
InChIKeyZSDUGSJQVDKFFK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.54
Rot. Bonds4

About 6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one

6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one (PubChem CID 82151396) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one
PubChem CID82151396
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one
SMILESCOc1ccc2c(=O)n(CCC3CCCCN3)ccc2c1
InChIInChI=1S/C17H22N2O2/c1-21-15-5-6-16-13(12-15)7-10-19(17(16)20)11-8-14-4-2-3-9-18-14/h5-7,10,12,14,18H,2-4,8-9,11H2,1H3
InChIKeyZSDUGSJQVDKFFK-UHFFFAOYSA-N
XLogP2.54
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole
CID 82164132
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647
6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline
CID 116995390
6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
CID 106542068
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
7-fluoro-2-(2-pyrrolidin-2-ylethyl)-6-[5-(trifluoromethyl)pyrimidin-2-yl]isoquinolin-1-one
CID 169118474
5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 104734984
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
CID 106541129
6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
CID 117262520
2-(piperidin-4-ylmethyl)-6-propoxyisoquinolin-1-one
CID 82151062
1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563552

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one?
The IUPAC name of 6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one (CID 82151396) is 6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one.
What is the SMILES notation for 6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one?
The canonical SMILES for 6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one is COc1ccc2c(=O)n(CCC3CCCCN3)ccc2c1.
What is the InChIKey of 6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one?
The InChIKey is ZSDUGSJQVDKFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-15-5-6-16-13(12-15)7-10-19(17(16)20)11-8-14-4-2-3-9-18-14/h5-7,10,12,14,18H,2-4,8-9,11H2,1H3.
What are the key properties of 6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one?
6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one has a molecular weight of 286.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one is sourced from PubChem (CID 82151396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).