N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione

C98H117Cl2F3N16O18 — CID 157353150

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione (PubChem CID 157353150) has the molecular formula C98H117Cl2F3N16O18 and a molecular weight of 1935.01 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione.

Molecular Properties

• Compound Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione
• PubChem CID: 157353150
• Molecular Formula: C98H117Cl2F3N16O18
• Molecular Weight: 1935.01 g/mol
• Exact Mass: 1932.81
• IUPAC Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione
• SMILES: COCCOCCOc1cc(N2CCC(CN3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ncc1C(=O)NC1C(C)(C)C(Oc2ccc(C#N)c(Cl)c2)C1(C)C.COCCOCCOc1cc(N2CCC(CN3CCNCC3)CC2)ncc1C(=O)NC1C(C)(C)C(Oc2ccc(C#N)c(Cl)c2)C1(C)C.O=C1CCC(N2C(=O)c3cc(F)c(F)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C49H58ClFN8O9.C36H51ClN6O5.C13H8F2N2O4/c1-48(2)46(49(3,4)47(48)68-31-7-6-30(26-52)35(50)22-31)55-42(61)34-27-53-40(25-39(34)67-21-20-66-19-18-65-5)58-12-10-29(11-13-58)28-56-14-16-57(17-15-56)38-24-33-32(23-36(38)51)44(63)59(45(33)64)37-8-9-41(60)54-43(37)62;1-35(2)33(36(3,4)34(35)48-27-7-6-26(22-38)29(37)20-27)41-32(44)28-23-40-31(21-30(28)47-19-18-46-17-16-45-5)43-12-8-25(9-13-43)24-42-14-10-39-11-15-42;14-7-3-5-6(4-8(7)15)13(21)17(12(5)20)9-1-2-10(18)16-11(9)19/h6-7,22-25,27,29,37,46-47H,8-21,28H2,1-5H3,(H,55,61)(H,54,60,62);6-7,20-21,23,25,33-34,39H,8-19,24H2,1-5H3,(H,41,44);3-4,9H,1-2H2,(H,16,18,19)
• InChIKey: BHTQEQWFVTTXAZ-UHFFFAOYSA-N
• XLogP: 9.59
• TPSA: 400.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1935.01
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione?

The IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione (CID 157353150) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione.

What is the SMILES notation for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione?

The canonical SMILES for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione is COCCOCCOc1cc(N2CCC(CN3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ncc1C(=O)NC1C(C)(C)C(Oc2ccc(C#N)c(Cl)c2)C1(C)C.COCCOCCOc1cc(N2CCC(CN3CCNCC3)CC2)ncc1C(=O)NC1C(C)(C)C(Oc2ccc(C#N)c(Cl)c2)C1(C)C.O=C1CCC(N2C(=O)c3cc(F)c(F)cc3C2=O)C(=O)N1.

What is the InChIKey of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione?

The InChIKey is BHTQEQWFVTTXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H58ClFN8O9.C36H51ClN6O5.C13H8F2N2O4/c1-48(2)46(49(3,4)47(48)68-31-7-6-30(26-52)35(50)22-31)55-42(61)34-27-53-40(25-39(34)67-21-20-66-19-18-65-5)58-12-10-29(11-13-58)28-56-14-16-57(17-15-56)38-24-33-32(23-36(38)51)44(63)59(45(33)64)37-8-9-41(60)54-43(37)62;1-35(2)33(36(3,4)34(35)48-27-7-6-26(22-38)29(37)20-27)41-32(44)28-23-40-31(21-30(28)47-19-18-46-17-16-45-5)43-12-8-25(9-13-43)24-42-14-10-39-11-15-42;14-7-3-5-6(4-8(7)15)13(21)17(12(5)20)9-1-2-10(18)16-11(9)19/h6-7,22-25,27,29,37,46-47H,8-21,28H2,1-5H3,(H,55,61)(H,54,60,62);6-7,20-21,23,25,33-34,39H,8-19,24H2,1-5H3,(H,41,44);3-4,9H,1-2H2,(H,16,18,19).

What are the key properties of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione?

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione has a molecular weight of 1935.01 g/mol, XLogP of 9.59, 31 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxamide;N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-(2-methoxyethoxy)ethoxy]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione is sourced from PubChem (CID 157353150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).