3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione

C42H50N6O6 — CID 164986723

About 3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione

3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione (PubChem CID 164986723) has the molecular formula C42H50N6O6 and a molecular weight of 734.90 g/mol. Its IUPAC name is 3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione
• PubChem CID: 164986723
• Molecular Formula: C42H50N6O6
• Molecular Weight: 734.90 g/mol
• Exact Mass: 734.38
• IUPAC Name: 3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCN(C(=O)CC2CCN(c3ccc(CC4CCC(=O)NC4=O)cc3C)CC2)CC1
• InChI: InChI=1S/C42H50N6O6/c1-27-19-29(20-30-6-8-39(49)44-41(30)51)5-7-36(27)47-13-10-28(11-14-47)21-40(50)48-17-15-46(16-18-48)26-35-37(53-3)22-31(23-38(35)54-4)34-25-45(2)42(52)33-24-43-12-9-32(33)34/h5,7,9,12,19,22-25,28,30H,6,8,10-11,13-18,20-21,26H2,1-4H3,(H,44,49,51)
• InChIKey: GGQOQSQYXDTTGF-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 126.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	734.90
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione?

The IUPAC name of 3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione (CID 164986723) is 3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione.

What is the SMILES notation for 3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione?

The canonical SMILES for 3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCN(C(=O)CC2CCN(c3ccc(CC4CCC(=O)NC4=O)cc3C)CC2)CC1.

What is the InChIKey of 3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione?

The InChIKey is GGQOQSQYXDTTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50N6O6/c1-27-19-29(20-30-6-8-39(49)44-41(30)51)5-7-36(27)47-13-10-28(11-14-47)21-40(50)48-17-15-46(16-18-48)26-35-37(53-3)22-31(23-38(35)54-4)34-25-45(2)42(52)33-24-43-12-9-32(33)34/h5,7,9,12,19,22-25,28,30H,6,8,10-11,13-18,20-21,26H2,1-4H3,(H,44,49,51).

What are the key properties of 3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione?

3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione has a molecular weight of 734.90 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 164986723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).