5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide

C43H53N9O6 — CID 156533871

About 5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide

5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide (PubChem CID 156533871) has the molecular formula C43H53N9O6 and a molecular weight of 791.95 g/mol. Its IUPAC name is 5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide
• PubChem CID: 156533871
• Molecular Formula: C43H53N9O6
• Molecular Weight: 791.95 g/mol
• Exact Mass: 791.41
• IUPAC Name: 5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide
• SMILES: COc1cc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCN(c6cnc(C(=O)NC7CCC(=O)NC7=O)nc6)CC5)CC4)cc3)C2(C)C)ccc1C#N
• InChI: InChI=1S/C43H53N9O6/c1-42(2)40(43(3,4)41(42)58-32-11-8-29(23-44)34(22-32)57-5)49-37(54)28-6-9-30(10-7-28)51-16-14-27(15-17-51)26-50-18-20-52(21-19-50)31-24-45-36(46-25-31)39(56)47-33-12-13-35(53)48-38(33)55/h6-11,22,24-25,27,33,40-41H,12-21,26H2,1-5H3,(H,47,56)(H,49,54)(H,48,53,55)
• InChIKey: VAAHMBTTYKOMMP-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 182.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.95
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
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 5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide?

The IUPAC name of 5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide (CID 156533871) is 5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide.

What is the SMILES notation for 5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide?

The canonical SMILES for 5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide is COc1cc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCN(c6cnc(C(=O)NC7CCC(=O)NC7=O)nc6)CC5)CC4)cc3)C2(C)C)ccc1C#N.

What is the InChIKey of 5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide?

The InChIKey is VAAHMBTTYKOMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53N9O6/c1-42(2)40(43(3,4)41(42)58-32-11-8-29(23-44)34(22-32)57-5)49-37(54)28-6-9-30(10-7-28)51-16-14-27(15-17-51)26-50-18-20-52(21-19-50)31-24-45-36(46-25-31)39(56)47-33-12-13-35(53)48-38(33)55/h6-11,22,24-25,27,33,40-41H,12-21,26H2,1-5H3,(H,47,56)(H,49,54)(H,48,53,55).

What are the key properties of 5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide?

5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide has a molecular weight of 791.95 g/mol, XLogP of 3.54, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 156533871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).