2-isoquinolin-5-yl-6-methylpiperidin-4-one

C15H16N2O — CID 82387921

IUPAC2-isoquinolin-5-yl-6-methylpiperidin-4-one
SMILESCC1CC(=O)CC(c2cccc3cnccc23)N1
InChIInChI=1S/C15H16N2O/c1-10-7-12(18)8-15(17-10)14-4-2-3-11-9-16-6-5-13(11)14/h2-6,9-10,15,17H,7-8H2,1H3
InChIKeyWUPBKKXWJAMZGM-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.62
Rot. Bonds1

About 2-isoquinolin-5-yl-6-methylpiperidin-4-one

2-isoquinolin-5-yl-6-methylpiperidin-4-one (PubChem CID 82387921) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-6-methylpiperidin-4-one.

Molecular Properties

Compound Name2-isoquinolin-5-yl-6-methylpiperidin-4-one
PubChem CID82387921
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-isoquinolin-5-yl-6-methylpiperidin-4-one
SMILESCC1CC(=O)CC(c2cccc3cnccc23)N1
InChIInChI=1S/C15H16N2O/c1-10-7-12(18)8-15(17-10)14-4-2-3-11-9-16-6-5-13(11)14/h2-6,9-10,15,17H,7-8H2,1H3
InChIKeyWUPBKKXWJAMZGM-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-isoquinolin-5-ylcyclohexan-1-one
CID 83262300
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641
2-isoquinolin-5-ylcyclohexan-1-amine
CID 62812316
5-isoquinolin-5-ylpyrrolidine-3-carboxylic acid
CID 117357645
5-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 94873112
5-pyrrolidin-3-ylisoquinoline
CID 82607299
2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one
CID 72724048
5-(3-methyl-1,4-diazepan-1-yl)isoquinoline
CID 64945525
5-(3-bromocyclohexyl)isoquinoline
CID 64507153
2-isoquinolin-5-yl-N-methylcyclohexan-1-amine
CID 62812477
(6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one
CID 70165727
ethane;isoquinolin-5-amine
CID 143675367

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-6-methylpiperidin-4-one?
The IUPAC name of 2-isoquinolin-5-yl-6-methylpiperidin-4-one (CID 82387921) is 2-isoquinolin-5-yl-6-methylpiperidin-4-one.
What is the SMILES notation for 2-isoquinolin-5-yl-6-methylpiperidin-4-one?
The canonical SMILES for 2-isoquinolin-5-yl-6-methylpiperidin-4-one is CC1CC(=O)CC(c2cccc3cnccc23)N1.
What is the InChIKey of 2-isoquinolin-5-yl-6-methylpiperidin-4-one?
The InChIKey is WUPBKKXWJAMZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-7-12(18)8-15(17-10)14-4-2-3-11-9-16-6-5-13(11)14/h2-6,9-10,15,17H,7-8H2,1H3.
What are the key properties of 2-isoquinolin-5-yl-6-methylpiperidin-4-one?
2-isoquinolin-5-yl-6-methylpiperidin-4-one has a molecular weight of 240.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yl-6-methylpiperidin-4-one is sourced from PubChem (CID 82387921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).