2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one

C24H28N2O3 — CID 2151990

IUPAC2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one
SMILESCC1CCN(C(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)CC1
InChIInChI=1S/C24H28N2O3/c1-18-10-13-25(14-11-18)23(27)17-29-22-9-5-8-21-20(22)12-15-26(24(21)28)16-19-6-3-2-4-7-19/h2-9,18H,10-17H2,1H3
InChIKeyWZIGOIYVHSBVHA-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.52
Rot. Bonds5

About 2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one

2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one (PubChem CID 2151990) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one
PubChem CID2151990
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one
SMILESCC1CCN(C(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)CC1
InChIInChI=1S/C24H28N2O3/c1-18-10-13-25(14-11-18)23(27)17-29-22-9-5-8-21-20(22)12-15-26(24(21)28)16-19-6-3-2-4-7-19/h2-9,18H,10-17H2,1H3
InChIKeyWZIGOIYVHSBVHA-UHFFFAOYSA-N
XLogP3.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-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 2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one (CID 2151990) is 2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one is CC1CCN(C(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)CC1.
What is the InChIKey of 2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one?
The InChIKey is WZIGOIYVHSBVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-18-10-13-25(14-11-18)23(27)17-29-22-9-5-8-21-20(22)12-15-26(24(21)28)16-19-6-3-2-4-7-19/h2-9,18H,10-17H2,1H3.
What are the key properties of 2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one?
2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one has a molecular weight of 392.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2151990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).