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

C30H35N5O5 — CID 146195469

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

2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione (PubChem CID 146195469) has the molecular formula C30H35N5O5 and a molecular weight of 545.64 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione
• PubChem CID: 146195469
• Molecular Formula: C30H35N5O5
• Molecular Weight: 545.64 g/mol
• Exact Mass: 545.26
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCc4ccc(CN5CCC(N6CCOCC6)CC5)cc4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C30H35N5O5/c36-26-9-8-25(28(37)32-26)35-29(38)23-2-1-3-24(27(23)30(35)39)31-18-20-4-6-21(7-5-20)19-33-12-10-22(11-13-33)34-14-16-40-17-15-34/h1-7,22,25,31H,8-19H2,(H,32,36,37)
• InChIKey: LAEVDLPQGPYRCD-UHFFFAOYSA-N
• XLogP: 2.00
• 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	2.00
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 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione (CID 146195469) is 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(NCc4ccc(CN5CCC(N6CCOCC6)CC5)cc4)c3C2=O)C(=O)N1.

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

The InChIKey is LAEVDLPQGPYRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O5/c36-26-9-8-25(28(37)32-26)35-29(38)23-2-1-3-24(27(23)30(35)39)31-18-20-4-6-21(7-5-20)19-33-12-10-22(11-13-33)34-14-16-40-17-15-34/h1-7,22,25,31H,8-19H2,(H,32,36,37).

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

2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione has a molecular weight of 545.64 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 146195469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).