5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one

C31H30N2O4 — CID 11504179

About 5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one

5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one (PubChem CID 11504179) has the molecular formula C31H30N2O4 and a molecular weight of 494.59 g/mol. Its IUPAC name is 5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one
• PubChem CID: 11504179
• Molecular Formula: C31H30N2O4
• Molecular Weight: 494.59 g/mol
• Exact Mass: 494.22
• IUPAC Name: 5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one
• SMILES: O=C1NCc2cc(-c3ccc4cc(O)ccc4c3Oc3ccc(OCCN4CCCCC4)cc3)ccc21
• InChI: InChI=1S/C31H30N2O4/c34-24-6-13-28-22(19-24)4-11-27(21-5-12-29-23(18-21)20-32-31(29)35)30(28)37-26-9-7-25(8-10-26)36-17-16-33-14-2-1-3-15-33/h4-13,18-19,34H,1-3,14-17,20H2,(H,32,35)
• InChIKey: GBNBTQWNCNRCTO-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 71.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.59
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one?

The IUPAC name of 5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one (CID 11504179) is 5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one?

The canonical SMILES for 5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cc(-c3ccc4cc(O)ccc4c3Oc3ccc(OCCN4CCCCC4)cc3)ccc21.

What is the InChIKey of 5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one?

The InChIKey is GBNBTQWNCNRCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O4/c34-24-6-13-28-22(19-24)4-11-27(21-5-12-29-23(18-21)20-32-31(29)35)30(28)37-26-9-7-25(8-10-26)36-17-16-33-14-2-1-3-15-33/h4-13,18-19,34H,1-3,14-17,20H2,(H,32,35).

What are the key properties of 5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one?

5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 494.59 g/mol, XLogP of 6.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 11504179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).