4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile

C29H28N2O3S — CID 58338572

About 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile

4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile (PubChem CID 58338572) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile
• PubChem CID: 58338572
• Molecular Formula: C29H28N2O3S
• Molecular Weight: 484.62 g/mol
• Exact Mass: 484.18
• IUPAC Name: 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile
• SMILES: COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3cscc3C#N)ccc2c1
• InChI: InChI=1S/C29H28N2O3S/c1-32-25-10-12-26-21(17-25)5-11-27(28-20-35-19-22(28)18-30)29(26)34-24-8-6-23(7-9-24)33-16-15-31-13-3-2-4-14-31/h5-12,17,19-20H,2-4,13-16H2,1H3
• InChIKey: KTJRQKFDKPGFAK-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 54.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.62
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile?

The IUPAC name of 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile (CID 58338572) is 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile.

What is the SMILES notation for 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile?

The canonical SMILES for 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile is COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3cscc3C#N)ccc2c1.

What is the InChIKey of 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile?

The InChIKey is KTJRQKFDKPGFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-32-25-10-12-26-21(17-25)5-11-27(28-20-35-19-22(28)18-30)29(26)34-24-8-6-23(7-9-24)33-16-15-31-13-3-2-4-14-31/h5-12,17,19-20H,2-4,13-16H2,1H3.

What are the key properties of 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile?

4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile has a molecular weight of 484.62 g/mol, XLogP of 7.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile is sourced from PubChem (CID 58338572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).