2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one

C14H18N2O — CID 59731888

IUPAC2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one
SMILESO=C1Cc2ccccc2CN1C1CCNCC1
InChIInChI=1S/C14H18N2O/c17-14-9-11-3-1-2-4-12(11)10-16(14)13-5-7-15-8-6-13/h1-4,13,15H,5-10H2
InChIKeyOFGRIUZKFDDZPU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.32
Rot. Bonds1

About 2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one

2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one (PubChem CID 59731888) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one
PubChem CID59731888
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one
SMILESO=C1Cc2ccccc2CN1C1CCNCC1
InChIInChI=1S/C14H18N2O/c17-14-9-11-3-1-2-4-12(11)10-16(14)13-5-7-15-8-6-13/h1-4,13,15H,5-10H2
InChIKeyOFGRIUZKFDDZPU-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one (CID 59731888) is 2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one is O=C1Cc2ccccc2CN1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one?
The InChIKey is OFGRIUZKFDDZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14-9-11-3-1-2-4-12(11)10-16(14)13-5-7-15-8-6-13/h1-4,13,15H,5-10H2.
What are the key properties of 2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one?
2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one has a molecular weight of 230.31 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 59731888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).