2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione

C41H40N6O7 — CID 171612490

About 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione (PubChem CID 171612490) has the molecular formula C41H40N6O7 and a molecular weight of 728.81 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione
• PubChem CID: 171612490
• Molecular Formula: C41H40N6O7
• Molecular Weight: 728.81 g/mol
• Exact Mass: 728.30
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione
• SMILES: CC(C)(c1ccc(Oc2ccnc(N3CC4(COC4)C3)n2)cc1)c1ccc(OC2CC(Nc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)cc1
• InChI: InChI=1S/C41H40N6O7/c1-40(2,25-5-10-29(11-6-25)54-35-15-16-42-39(45-35)46-20-41(21-46)22-52-23-41)24-3-8-28(9-4-24)53-30-17-27(18-30)43-26-7-12-31-32(19-26)38(51)47(37(31)50)33-13-14-34(48)44-36(33)49/h3-12,15-16,19,27,30,33,43H,13-14,17-18,20-23H2,1-2H3,(H,44,48,49)
• InChIKey: FIWZIPKZIVHCEK-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 152.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.81
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione (CID 171612490) is 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione is CC(C)(c1ccc(Oc2ccnc(N3CC4(COC4)C3)n2)cc1)c1ccc(OC2CC(Nc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)cc1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione?

The InChIKey is FIWZIPKZIVHCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40N6O7/c1-40(2,25-5-10-29(11-6-25)54-35-15-16-42-39(45-35)46-20-41(21-46)22-52-23-41)24-3-8-28(9-4-24)53-30-17-27(18-30)43-26-7-12-31-32(19-26)38(51)47(37(31)50)33-13-14-34(48)44-36(33)49/h3-12,15-16,19,27,30,33,43H,13-14,17-18,20-23H2,1-2H3,(H,44,48,49).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione has a molecular weight of 728.81 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]amino]isoindole-1,3-dione is sourced from PubChem (CID 171612490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).