[(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid

C33H48FN7O5 — CID 174235610

About [(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid

[(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid (PubChem CID 174235610) has the molecular formula C33H48FN7O5 and a molecular weight of 641.79 g/mol. Its IUPAC name is [(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid.

Molecular Properties

• Compound Name: [(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid
• PubChem CID: 174235610
• Molecular Formula: C33H48FN7O5
• Molecular Weight: 641.79 g/mol
• Exact Mass: 641.37
• IUPAC Name: [(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(N3CCC(CN4CCN([C@H]5C[C@@](C)(C(C)(C)C)C5NC(=O)O)CC4)CC3)c(F)c21
• InChI: InChI=1S/C33H48FN7O5/c1-32(2,3)33(4)18-24(28(33)36-30(44)45)40-16-14-38(15-17-40)19-20-10-12-39(13-11-20)21-6-7-22-27(26(21)34)37(5)31(46)41(22)23-8-9-25(42)35-29(23)43/h6-7,20,23-24,28,36H,8-19H2,1-5H3,(H,44,45)(H,35,42,43)/t23?,24-,28?,33+/m0/s1
• InChIKey: NYXAOSLTWLSZKT-KYXWXFGPSA-N
• XLogP: 2.75
• TPSA: 132.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	641.79
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	3
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 [(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid?

The IUPAC name of [(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid (CID 174235610) is [(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid.

What is the SMILES notation for [(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid?

The canonical SMILES for [(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid is Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(N3CCC(CN4CCN([C@H]5C[C@@](C)(C(C)(C)C)C5NC(=O)O)CC4)CC3)c(F)c21.

What is the InChIKey of [(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid?

The InChIKey is NYXAOSLTWLSZKT-KYXWXFGPSA-N. The full InChI is InChI=1S/C33H48FN7O5/c1-32(2,3)33(4)18-24(28(33)36-30(44)45)40-16-14-38(15-17-40)19-20-10-12-39(13-11-20)21-6-7-22-27(26(21)34)37(5)31(46)41(22)23-8-9-25(42)35-29(23)43/h6-7,20,23-24,28,36H,8-19H2,1-5H3,(H,44,45)(H,35,42,43)/t23?,24-,28?,33+/m0/s1.

What are the key properties of [(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid?

[(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid has a molecular weight of 641.79 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4S)-2-tert-butyl-4-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylcyclobutyl]carbamic acid is sourced from PubChem (CID 174235610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).