3-piperidin-3-yl-2H-isoquinolin-1-one

C14H16N2O — CID 73439560

IUPAC3-piperidin-3-yl-2H-isoquinolin-1-one
SMILESO=c1[nH]c(C2CCCNC2)cc2ccccc12
InChIInChI=1S/C14H16N2O/c17-14-12-6-2-1-4-10(12)8-13(16-14)11-5-3-7-15-9-11/h1-2,4,6,8,11,15H,3,5,7,9H2,(H,16,17)
InChIKeyKUQYFVHUXBUYER-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.00
Rot. Bonds1

About 3-piperidin-3-yl-2H-isoquinolin-1-one

3-piperidin-3-yl-2H-isoquinolin-1-one (PubChem CID 73439560) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-piperidin-3-yl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-piperidin-3-yl-2H-isoquinolin-1-one
PubChem CID73439560
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-piperidin-3-yl-2H-isoquinolin-1-one
SMILESO=c1[nH]c(C2CCCNC2)cc2ccccc12
InChIInChI=1S/C14H16N2O/c17-14-12-6-2-1-4-10(12)8-13(16-14)11-5-3-7-15-9-11/h1-2,4,6,8,11,15H,3,5,7,9H2,(H,16,17)
InChIKeyKUQYFVHUXBUYER-UHFFFAOYSA-N
XLogP2.00
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-piperidin-3-yl-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-2H-isoquinolin-1-one?
The IUPAC name of 3-piperidin-3-yl-2H-isoquinolin-1-one (CID 73439560) is 3-piperidin-3-yl-2H-isoquinolin-1-one.
What is the SMILES notation for 3-piperidin-3-yl-2H-isoquinolin-1-one?
The canonical SMILES for 3-piperidin-3-yl-2H-isoquinolin-1-one is O=c1[nH]c(C2CCCNC2)cc2ccccc12.
What is the InChIKey of 3-piperidin-3-yl-2H-isoquinolin-1-one?
The InChIKey is KUQYFVHUXBUYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14-12-6-2-1-4-10(12)8-13(16-14)11-5-3-7-15-9-11/h1-2,4,6,8,11,15H,3,5,7,9H2,(H,16,17).
What are the key properties of 3-piperidin-3-yl-2H-isoquinolin-1-one?
3-piperidin-3-yl-2H-isoquinolin-1-one has a molecular weight of 228.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-2H-isoquinolin-1-one is sourced from PubChem (CID 73439560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).