2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one

C23H25FN2O3 — CID 2152151

IUPAC2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one
SMILESO=C(COc1cccc2c1CCN(Cc1ccccc1F)C2=O)N1CCCCC1
InChIInChI=1S/C23H25FN2O3/c24-20-9-3-2-7-17(20)15-26-14-11-18-19(23(26)28)8-6-10-21(18)29-16-22(27)25-12-4-1-5-13-25/h2-3,6-10H,1,4-5,11-16H2
InChIKeyMAZNCIABOUOONS-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.42
Rot. Bonds5

About 2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one

2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one (PubChem CID 2152151) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one
PubChem CID2152151
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one
SMILESO=C(COc1cccc2c1CCN(Cc1ccccc1F)C2=O)N1CCCCC1
InChIInChI=1S/C23H25FN2O3/c24-20-9-3-2-7-17(20)15-26-14-11-18-19(23(26)28)8-6-10-21(18)29-16-22(27)25-12-4-1-5-13-25/h2-3,6-10H,1,4-5,11-16H2
InChIKeyMAZNCIABOUOONS-UHFFFAOYSA-N
XLogP3.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one (CID 2152151) is 2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one is O=C(COc1cccc2c1CCN(Cc1ccccc1F)C2=O)N1CCCCC1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one?
The InChIKey is MAZNCIABOUOONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c24-20-9-3-2-7-17(20)15-26-14-11-18-19(23(26)28)8-6-10-21(18)29-16-22(27)25-12-4-1-5-13-25/h2-3,6-10H,1,4-5,11-16H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one?
2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one has a molecular weight of 396.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2152151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).