1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone

C22H22N2O2 — CID 42618148

IUPAC1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2cc3cnccc3cc2-c2ccccc2)CC1
InChIInChI=1S/C22H22N2O2/c1-16(25)24-11-8-20(9-12-24)26-22-14-19-15-23-10-7-18(19)13-21(22)17-5-3-2-4-6-17/h2-7,10,13-15,20H,8-9,11-12H2,1H3
InChIKeyGXXUHIWUMKDBFY-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.29
Rot. Bonds3

About 1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone

1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone (PubChem CID 42618148) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone
PubChem CID42618148
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2cc3cnccc3cc2-c2ccccc2)CC1
InChIInChI=1S/C22H22N2O2/c1-16(25)24-11-8-20(9-12-24)26-22-14-19-15-23-10-7-18(19)13-21(22)17-5-3-2-4-6-17/h2-7,10,13-15,20H,8-9,11-12H2,1H3
InChIKeyGXXUHIWUMKDBFY-UHFFFAOYSA-N
XLogP4.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone (CID 42618148) is 1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone is CC(=O)N1CCC(Oc2cc3cnccc3cc2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is GXXUHIWUMKDBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16(25)24-11-8-20(9-12-24)26-22-14-19-15-23-10-7-18(19)13-21(22)17-5-3-2-4-6-17/h2-7,10,13-15,20H,8-9,11-12H2,1H3.
What are the key properties of 1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone?
1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-phenylisoquinolin-7-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 42618148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).