1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone

C17H20N2O2 — CID 106536762

IUPAC1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone
SMILESCOc1ccc2ccnc(N3CCCCC3C(C)=O)c2c1
InChIInChI=1S/C17H20N2O2/c1-12(20)16-5-3-4-10-19(16)17-15-11-14(21-2)7-6-13(15)8-9-18-17/h6-9,11,16H,3-5,10H2,1-2H3
InChIKeyRRICLLKJTVBKFU-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.19
Rot. Bonds3

About 1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone

1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone (PubChem CID 106536762) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone
PubChem CID106536762
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone
SMILESCOc1ccc2ccnc(N3CCCCC3C(C)=O)c2c1
InChIInChI=1S/C17H20N2O2/c1-12(20)16-5-3-4-10-19(16)17-15-11-14(21-2)7-6-13(15)8-9-18-17/h6-9,11,16H,3-5,10H2,1-2H3
InChIKeyRRICLLKJTVBKFU-UHFFFAOYSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone 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-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542379
1-(7-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 106536320
1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid
CID 82570875
1-[2-(chloromethyl)azepan-1-yl]-6-methoxyisoquinoline
CID 106543197
[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 106543635
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide
CID 106537108
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol
CID 107407376
1-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-7-methoxyisoquinoline
CID 25180239
1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106542352
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone (CID 106536762) is 1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone is COc1ccc2ccnc(N3CCCCC3C(C)=O)c2c1.
What is the InChIKey of 1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone?
The InChIKey is RRICLLKJTVBKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(20)16-5-3-4-10-19(16)17-15-11-14(21-2)7-6-13(15)8-9-18-17/h6-9,11,16H,3-5,10H2,1-2H3.
What are the key properties of 1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone?
1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone is sourced from PubChem (CID 106536762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).