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

C49H58ClFN8O9 — CID 134414303

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]-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 (PubChem CID 134414303) has the molecular formula C49H58ClFN8O9 and a molecular weight of 957.50 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.

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
• PubChem CID: 134414303
• Molecular Formula: C49H58ClFN8O9
• Molecular Weight: 957.50 g/mol
• Exact Mass: 956.40
• 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
• 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
• InChI: InChI=1S/C49H58ClFN8O9/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/h6-7,22-25,27,29,37,46-47H,8-21,28H2,1-5H3,(H,55,61)(H,54,60,62)
• InChIKey: KHDMKMWBQQIHIZ-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 195.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.50
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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?

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 (CID 134414303) 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.

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?

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 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.

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?

The InChIKey is KHDMKMWBQQIHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H58ClFN8O9/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/h6-7,22-25,27,29,37,46-47H,8-21,28H2,1-5H3,(H,55,61)(H,54,60,62).

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]-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 has a molecular weight of 957.50 g/mol, XLogP of 4.84, 16 rotatable bonds, 2 hydrogen bond donors, and 14 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 is sourced from PubChem (CID 134414303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).