4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C30H35N5O5 — CID 146195418

About 4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 146195418) has the molecular formula C30H35N5O5 and a molecular weight of 545.64 g/mol. Its IUPAC name is 4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 146195418
• Molecular Formula: C30H35N5O5
• Molecular Weight: 545.64 g/mol
• Exact Mass: 545.26
• IUPAC Name: 4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CC1(C)CN(C2CN(Cc3ccc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)C2)CCO1
• InChI: InChI=1S/C30H35N5O5/c1-30(2)18-34(12-13-40-30)21-16-33(17-21)15-20-8-6-19(7-9-20)14-31-23-5-3-4-22-26(23)29(39)35(28(22)38)24-10-11-25(36)32-27(24)37/h3-9,21,24,31H,10-18H2,1-2H3,(H,32,36,37)
• InChIKey: UWFPYYKSWYDEAC-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 111.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.64
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 146195418) is 4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC1(C)CN(C2CN(Cc3ccc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)C2)CCO1.

What is the InChIKey of 4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is UWFPYYKSWYDEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O5/c1-30(2)18-34(12-13-40-30)21-16-33(17-21)15-20-8-6-19(7-9-20)14-31-23-5-3-4-22-26(23)29(39)35(28(22)38)24-10-11-25(36)32-27(24)37/h3-9,21,24,31H,10-18H2,1-2H3,(H,32,36,37).

What are the key properties of 4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 545.64 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[[3-(2,2-dimethylmorpholin-4-yl)azetidin-1-yl]methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 146195418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).