18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide

C₅₃H₆₈N₆O₈ — CID 156550932

About 18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide

18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide (PubChem CID 156550932) has the molecular formula C₅₃H₆₈N₆O₈ and a molecular weight of 917.16 g/mol. Its IUPAC name is 18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide.

Molecular Properties

• Compound Name: 18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide
• PubChem CID: 156550932
• Molecular Formula: C₅₃H₆₈N₆O₈
• Molecular Weight: 917.16 g/mol
• Exact Mass: 916.51
• IUPAC Name: 18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide
• SMILES: Cc1cc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCOCCCCCOc6ccc(C(=O)NC7CCC(=O)NC7=O)cc6OC6CC5C6)CC4)cc3)C2(C)C)cc(C)c1C#N
• InChI: InChI=1S/C53H68N6O8/c1-33-26-40(27-34(2)42(33)31-54)67-51-52(3,4)50(53(51,5)6)57-47(61)36-10-13-38(14-11-36)58-20-18-35(19-21-58)32-59-22-25-64-23-8-7-9-24-65-44-16-12-37(28-45(44)66-41-29-39(59)30-41)48(62)55-43-15-17-46(60)56-49(43)63/h10-14,16,26-28,35,39,41,43,50-51H,7-9,15,17-25,29-30,32H2,1-6H3,(H,55,62)(H,57,61)(H,56,60,63)
• InChIKey: OOOHLXVCDJNFPS-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 171.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	917.16
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	3
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 18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide?

The IUPAC name of 18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide (CID 156550932) is 18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide.

What is the SMILES notation for 18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide?

The canonical SMILES for 18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide is Cc1cc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCOCCCCCOc6ccc(C(=O)NC7CCC(=O)NC7=O)cc6OC6CC5C6)CC4)cc3)C2(C)C)cc(C)c1C#N.

What is the InChIKey of 18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide?

The InChIKey is OOOHLXVCDJNFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H68N6O8/c1-33-26-40(27-34(2)42(33)31-54)67-51-52(3,4)50(53(51,5)6)57-47(61)36-10-13-38(14-11-36)58-20-18-35(19-21-58)32-59-22-25-64-23-8-7-9-24-65-44-16-12-37(28-45(44)66-41-29-39(59)30-41)48(62)55-43-15-17-46(60)56-49(43)63/h10-14,16,26-28,35,39,41,43,50-51H,7-9,15,17-25,29-30,32H2,1-6H3,(H,55,62)(H,57,61)(H,56,60,63).

What are the key properties of 18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide?

18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide has a molecular weight of 917.16 g/mol, XLogP of 7.03, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-2,9,15-trioxa-18-azatricyclo[17.1.1.03,8]henicosa-3(8),4,6-triene-5-carboxamide is sourced from PubChem (CID 156550932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156550932 — identifiers, structure, computed properties (public domain)

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