N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide

C44H50ClN9O6 — CID 134414283

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide (PubChem CID 134414283) has the molecular formula C44H50ClN9O6 and a molecular weight of 836.39 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide
• PubChem CID: 134414283
• Molecular Formula: C44H50ClN9O6
• Molecular Weight: 836.39 g/mol
• Exact Mass: 835.36
• IUPAC Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide
• SMILES: CC1(C)C(NC(=O)c2ccc(N3CCC(CCN4CCN(c5cnc6c(n5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
• InChI: InChI=1S/C44H50ClN9O6/c1-43(2)41(44(3,4)42(43)60-30-10-7-28(24-46)31(45)23-30)50-37(56)27-5-8-29(9-6-27)52-17-14-26(15-18-52)13-16-51-19-21-53(22-20-51)33-25-47-35-36(48-33)40(59)54(39(35)58)32-11-12-34(55)49-38(32)57/h5-10,23,25-26,32,41-42H,11-22H2,1-4H3,(H,50,56)(H,49,55,57)
• InChIKey: SZDPOOMUYCINOW-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 181.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.39
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'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]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide?

The IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide (CID 134414283) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide.

What is the SMILES notation for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide?

The canonical SMILES for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide is CC1(C)C(NC(=O)c2ccc(N3CCC(CCN4CCN(c5cnc6c(n5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1.

What is the InChIKey of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide?

The InChIKey is SZDPOOMUYCINOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50ClN9O6/c1-43(2)41(44(3,4)42(43)60-30-10-7-28(24-46)31(45)23-30)50-37(56)27-5-8-29(9-6-27)52-17-14-26(15-18-52)13-16-51-19-21-53(22-20-51)33-25-47-35-36(48-33)40(59)54(39(35)58)32-11-12-34(55)49-38(32)57/h5-10,23,25-26,32,41-42H,11-22H2,1-4H3,(H,50,56)(H,49,55,57).

What are the key properties of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide?

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide has a molecular weight of 836.39 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxopyrrolo[3,4-b]pyrazin-3-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide is sourced from PubChem (CID 134414283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).