6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one

C23H28N2O2 — CID 22767307

IUPAC6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1)C(CCN1CCCCC1)(c1ccccc1)CNC2=O
InChIInChI=1S/C23H28N2O2/c1-27-19-10-11-20-21(16-19)23(17-24-22(20)26,18-8-4-2-5-9-18)12-15-25-13-6-3-7-14-25/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3,(H,24,26)
InChIKeyAXFPHWYJFFWNIH-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.60
Rot. Bonds5

About 6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one

6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one (PubChem CID 22767307) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one
PubChem CID22767307
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1)C(CCN1CCCCC1)(c1ccccc1)CNC2=O
InChIInChI=1S/C23H28N2O2/c1-27-19-10-11-20-21(16-19)23(17-24-22(20)26,18-8-4-2-5-9-18)12-15-25-13-6-3-7-14-25/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3,(H,24,26)
InChIKeyAXFPHWYJFFWNIH-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one?
The IUPAC name of 6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one (CID 22767307) is 6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one?
The canonical SMILES for 6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one is COc1ccc2c(c1)C(CCN1CCCCC1)(c1ccccc1)CNC2=O.
What is the InChIKey of 6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one?
The InChIKey is AXFPHWYJFFWNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-19-10-11-20-21(16-19)23(17-24-22(20)26,18-8-4-2-5-9-18)12-15-25-13-6-3-7-14-25/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3,(H,24,26).
What are the key properties of 6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one?
6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one has a molecular weight of 364.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one is sourced from PubChem (CID 22767307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).