1-piperidin-4-yl-3H-isoquinolin-4-one

C14H16N2O — CID 58188833

IUPAC1-piperidin-4-yl-3H-isoquinolin-4-one
SMILESO=C1CN=C(C2CCNCC2)c2ccccc21
InChIInChI=1S/C14H16N2O/c17-13-9-16-14(10-5-7-15-8-6-10)12-4-2-1-3-11(12)13/h1-4,10,15H,5-9H2
InChIKeyZQDLREZZEBNKHF-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.67
Rot. Bonds1

About 1-piperidin-4-yl-3H-isoquinolin-4-one

1-piperidin-4-yl-3H-isoquinolin-4-one (PubChem CID 58188833) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-piperidin-4-yl-3H-isoquinolin-4-one.

Molecular Properties

Compound Name1-piperidin-4-yl-3H-isoquinolin-4-one
PubChem CID58188833
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-piperidin-4-yl-3H-isoquinolin-4-one
SMILESO=C1CN=C(C2CCNCC2)c2ccccc21
InChIInChI=1S/C14H16N2O/c17-13-9-16-14(10-5-7-15-8-6-10)12-4-2-1-3-11(12)13/h1-4,10,15H,5-9H2
InChIKeyZQDLREZZEBNKHF-UHFFFAOYSA-N
XLogP1.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3H-isoquinolin-4-one?
The IUPAC name of 1-piperidin-4-yl-3H-isoquinolin-4-one (CID 58188833) is 1-piperidin-4-yl-3H-isoquinolin-4-one.
What is the SMILES notation for 1-piperidin-4-yl-3H-isoquinolin-4-one?
The canonical SMILES for 1-piperidin-4-yl-3H-isoquinolin-4-one is O=C1CN=C(C2CCNCC2)c2ccccc21.
What is the InChIKey of 1-piperidin-4-yl-3H-isoquinolin-4-one?
The InChIKey is ZQDLREZZEBNKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-13-9-16-14(10-5-7-15-8-6-10)12-4-2-1-3-11(12)13/h1-4,10,15H,5-9H2.
What are the key properties of 1-piperidin-4-yl-3H-isoquinolin-4-one?
1-piperidin-4-yl-3H-isoquinolin-4-one has a molecular weight of 228.30 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3H-isoquinolin-4-one is sourced from PubChem (CID 58188833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).