3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane

C35H51N7O6 — CID 155706875

About 3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane

3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane (PubChem CID 155706875) has the molecular formula C35H51N7O6 and a molecular weight of 665.84 g/mol. Its IUPAC name is 3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane.

Molecular Properties

• Compound Name: 3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane
• PubChem CID: 155706875
• Molecular Formula: C35H51N7O6
• Molecular Weight: 665.84 g/mol
• Exact Mass: 665.39
• IUPAC Name: 3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane
• SMILES: CCC.CNC(=O)C1CCC2CCN(C(=O)CCCC3CN(c4ccc5c(c4)n(C)c(=O)n5C4CCC(=O)NC4=O)C3)CC(C)C(=O)N21
• InChI: InChI=1S/C32H43N7O6.C3H8/c1-19-16-36(14-13-21-7-10-24(29(42)33-2)38(21)31(19)44)28(41)6-4-5-20-17-37(18-20)22-8-9-23-26(15-22)35(3)32(45)39(23)25-11-12-27(40)34-30(25)43;1-3-2/h8-9,15,19-21,24-25H,4-7,10-14,16-18H2,1-3H3,(H,33,42)(H,34,40,43);3H2,1-2H3
• InChIKey: OSJMWAFLSMFQAB-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 146.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	665.84
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane?

The IUPAC name of 3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane (CID 155706875) is 3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane.

What is the SMILES notation for 3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane?

The canonical SMILES for 3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane is CCC.CNC(=O)C1CCC2CCN(C(=O)CCCC3CN(c4ccc5c(c4)n(C)c(=O)n5C4CCC(=O)NC4=O)C3)CC(C)C(=O)N21.

What is the InChIKey of 3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane?

The InChIKey is OSJMWAFLSMFQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O6.C3H8/c1-19-16-36(14-13-21-7-10-24(29(42)33-2)38(21)31(19)44)28(41)6-4-5-20-17-37(18-20)22-8-9-23-26(15-22)35(3)32(45)39(23)25-11-12-27(40)34-30(25)43;1-3-2/h8-9,15,19-21,24-25H,4-7,10-14,16-18H2,1-3H3,(H,33,42)(H,34,40,43);3H2,1-2H3.

What are the key properties of 3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane?

3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane has a molecular weight of 665.84 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]azetidin-3-yl]butanoyl]-N,5-dimethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;propane is sourced from PubChem (CID 155706875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).