N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione

C106H134N10O17 — CID 159389044

About N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione (PubChem CID 159389044) has the molecular formula C106H134N10O17 and a molecular weight of 1820.29 g/mol. Its IUPAC name is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione
• PubChem CID: 159389044
• Molecular Formula: C106H134N10O17
• Molecular Weight: 1820.29 g/mol
• Exact Mass: 1818.99
• IUPAC Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione
• SMILES: Cc1cc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(C=O)CC4)cc3)C2(C)C)cc(C)c1C#N.Cc1cc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCOCCCCOc6cc(C(=O)CC7CCC(=O)NC7=O)ccc6OC6CC5C6)CC4)cc3)C2(C)C)cc(C)c1C#N.O=C1CCC(CC(=O)c2ccc3c(c2)OCCCCOCCNC2CC(C2)O3)C(=O)N1
• InChI: InChI=1S/C53H67N5O8.C30H37N3O3.C23H30N2O6/c1-33-25-41(26-34(2)43(33)31-54)66-51-52(3,4)50(53(51,5)6)56-48(61)36-9-13-39(14-10-36)57-19-17-35(18-20-57)32-58-21-24-63-22-7-8-23-64-46-28-37(11-15-45(46)65-42-29-40(58)30-42)44(59)27-38-12-16-47(60)55-49(38)62;1-19-15-24(16-20(2)25(19)17-31)36-28-29(3,4)27(30(28,5)6)32-26(35)22-7-9-23(10-8-22)33-13-11-21(18-34)12-14-33;26-19(11-16-4-6-22(27)25-23(16)28)15-3-5-20-21(12-15)30-9-2-1-8-29-10-7-24-17-13-18(14-17)31-20/h9-11,13-15,25-26,28,35,38,40,42,50-51H,7-8,12,16-24,27,29-30,32H2,1-6H3,(H,56,61)(H,55,60,62);7-10,15-16,18,21,27-28H,11-14H2,1-6H3,(H,32,35);3,5,12,16-18,24H,1-2,4,6-11,13-14H2,(H,25,27,28)
• InChIKey: LLWLMNFLQFCZMK-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 344.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1820.29
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione?

The IUPAC name of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione (CID 159389044) is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione.

What is the SMILES notation for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione?

The canonical SMILES for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione is Cc1cc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(C=O)CC4)cc3)C2(C)C)cc(C)c1C#N.Cc1cc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCOCCCCOc6cc(C(=O)CC7CCC(=O)NC7=O)ccc6OC6CC5C6)CC4)cc3)C2(C)C)cc(C)c1C#N.O=C1CCC(CC(=O)c2ccc3c(c2)OCCCCOCCNC2CC(C2)O3)C(=O)N1.

What is the InChIKey of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione?

The InChIKey is LLWLMNFLQFCZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H67N5O8.C30H37N3O3.C23H30N2O6/c1-33-25-41(26-34(2)43(33)31-54)66-51-52(3,4)50(53(51,5)6)56-48(61)36-9-13-39(14-10-36)57-19-17-35(18-20-57)32-58-21-24-63-22-7-8-23-64-46-28-37(11-15-45(46)65-42-29-40(58)30-42)44(59)27-38-12-16-47(60)55-49(38)62;1-19-15-24(16-20(2)25(19)17-31)36-28-29(3,4)27(30(28,5)6)32-26(35)22-7-9-23(10-8-22)33-13-11-21(18-34)12-14-33;26-19(11-16-4-6-22(27)25-23(16)28)15-3-5-20-21(12-15)30-9-2-1-8-29-10-7-24-17-13-18(14-17)31-20/h9-11,13-15,25-26,28,35,38,40,42,50-51H,7-8,12,16-24,27,29-30,32H2,1-6H3,(H,56,61)(H,55,60,62);7-10,15-16,18,21,27-28H,11-14H2,1-6H3,(H,32,35);3,5,12,16-18,24H,1-2,4,6-11,13-14H2,(H,25,27,28).

What are the key properties of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione?

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione has a molecular weight of 1820.29 g/mol, XLogP of 14.93, 19 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)acetyl]-2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-17-yl]methyl]piperidin-1-yl]benzamide;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;3-[2-oxo-2-(2,9,14-trioxa-17-azatricyclo[16.1.1.03,8]icosa-3(8),4,6-trien-6-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 159389044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).