tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate

C33H43N5O6 — CID 164567881

About tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate (PubChem CID 164567881) has the molecular formula C33H43N5O6 and a molecular weight of 605.74 g/mol. Its IUPAC name is tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate
• PubChem CID: 164567881
• Molecular Formula: C33H43N5O6
• Molecular Weight: 605.74 g/mol
• Exact Mass: 605.32
• IUPAC Name: tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate
• SMILES: COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(N5CCC(N(C)C(=O)OC(C)(C)C)CC5)cc(C)cc43)C2=O)cc1
• InChI: InChI=1S/C33H43N5O6/c1-21-18-26(36-16-14-23(15-17-36)34(5)32(42)44-33(2,3)4)29-27(19-21)38(31(41)35(29)6)25-12-13-28(39)37(30(25)40)20-22-8-10-24(43-7)11-9-22/h8-11,18-19,23,25H,12-17,20H2,1-7H3
• InChIKey: VOOKDTPKLOIIAM-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 106.32 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.74
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate (CID 164567881) is tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate is COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(N5CCC(N(C)C(=O)OC(C)(C)C)CC5)cc(C)cc43)C2=O)cc1.

What is the InChIKey of tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate?

The InChIKey is VOOKDTPKLOIIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N5O6/c1-21-18-26(36-16-14-23(15-17-36)34(5)32(42)44-33(2,3)4)29-27(19-21)38(31(41)35(29)6)25-12-13-28(39)37(30(25)40)20-22-8-10-24(43-7)11-9-22/h8-11,18-19,23,25H,12-17,20H2,1-7H3.

What are the key properties of tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate?

tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate has a molecular weight of 605.74 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 164567881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).