1-(4-chloroisoquinolin-6-yl)piperidin-2-one

C14H13ClN2O — CID 118660602

IUPAC1-(4-chloroisoquinolin-6-yl)piperidin-2-one
SMILESO=C1CCCCN1c1ccc2cncc(Cl)c2c1
InChIInChI=1S/C14H13ClN2O/c15-13-9-16-8-10-4-5-11(7-12(10)13)17-6-2-1-3-14(17)18/h4-5,7-9H,1-3,6H2
InChIKeyJGAIQGZWYGYSJC-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.41
Rot. Bonds1

About 1-(4-chloroisoquinolin-6-yl)piperidin-2-one

1-(4-chloroisoquinolin-6-yl)piperidin-2-one (PubChem CID 118660602) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-(4-chloroisoquinolin-6-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(4-chloroisoquinolin-6-yl)piperidin-2-one
PubChem CID118660602
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name1-(4-chloroisoquinolin-6-yl)piperidin-2-one
SMILESO=C1CCCCN1c1ccc2cncc(Cl)c2c1
InChIInChI=1S/C14H13ClN2O/c15-13-9-16-8-10-4-5-11(7-12(10)13)17-6-2-1-3-14(17)18/h4-5,7-9H,1-3,6H2
InChIKeyJGAIQGZWYGYSJC-UHFFFAOYSA-N
XLogP3.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)piperidin-2-one
CID 53422142
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-(4-amino-3-bromophenyl)piperidin-2-one
CID 82864557
2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53416774
1-(4-aminophenyl)azepan-2-one
CID 58962781
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1-(3-bromo-4-fluorophenyl)azepan-2-one
CID 104779696
1-[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 157140097
1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one
CID 129218927
1-[4-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 135108946
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloroisoquinolin-6-yl)piperidin-2-one?
The IUPAC name of 1-(4-chloroisoquinolin-6-yl)piperidin-2-one (CID 118660602) is 1-(4-chloroisoquinolin-6-yl)piperidin-2-one.
What is the SMILES notation for 1-(4-chloroisoquinolin-6-yl)piperidin-2-one?
The canonical SMILES for 1-(4-chloroisoquinolin-6-yl)piperidin-2-one is O=C1CCCCN1c1ccc2cncc(Cl)c2c1.
What is the InChIKey of 1-(4-chloroisoquinolin-6-yl)piperidin-2-one?
The InChIKey is JGAIQGZWYGYSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-13-9-16-8-10-4-5-11(7-12(10)13)17-6-2-1-3-14(17)18/h4-5,7-9H,1-3,6H2.
What are the key properties of 1-(4-chloroisoquinolin-6-yl)piperidin-2-one?
1-(4-chloroisoquinolin-6-yl)piperidin-2-one has a molecular weight of 260.72 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloroisoquinolin-6-yl)piperidin-2-one is sourced from PubChem (CID 118660602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).