12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide

C48H54F4N6O9 — CID 163797737

About 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide

12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide (PubChem CID 163797737) has the molecular formula C48H54F4N6O9 and a molecular weight of 934.98 g/mol. Its IUPAC name is 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide.

Molecular Properties

• Compound Name: 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide
• PubChem CID: 163797737
• Molecular Formula: C48H54F4N6O9
• Molecular Weight: 934.98 g/mol
• Exact Mass: 934.39
• IUPAC Name: 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide
• SMILES: C[C@H](N(CC1=CC=C(F)CC1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)CCCCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)ccc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C48H54F4N6O9/c1-29(48(50,51)52)56(27-30-15-17-32(49)18-16-30)40(61)28-57-45(65)47(67-46(57)66)24-23-31-26-33(19-20-35(31)47)54-38(59)14-9-7-5-3-2-4-6-8-10-25-53-36-13-11-12-34-41(36)44(64)58(43(34)63)37-21-22-39(60)55-42(37)62/h11-13,15,17,19-20,26,29,37,53H,2-10,14,16,18,21-25,27-28H2,1H3,(H,54,59)(H,55,60,62)/t29-,37?,47+/m0/s1
• InChIKey: NCHHYIPGYXYLDK-WIBLFJPZSA-N
• XLogP: 7.51
• TPSA: 191.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.98
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide?

The IUPAC name of 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide (CID 163797737) is 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide.

What is the SMILES notation for 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide?

The canonical SMILES for 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide is C[C@H](N(CC1=CC=C(F)CC1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)CCCCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)ccc32)C1=O)C(F)(F)F.

What is the InChIKey of 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide?

The InChIKey is NCHHYIPGYXYLDK-WIBLFJPZSA-N. The full InChI is InChI=1S/C48H54F4N6O9/c1-29(48(50,51)52)56(27-30-15-17-32(49)18-16-30)40(61)28-57-45(65)47(67-46(57)66)24-23-31-26-33(19-20-35(31)47)54-38(59)14-9-7-5-3-2-4-6-8-10-25-53-36-13-11-12-34-41(36)44(64)58(43(34)63)37-21-22-39(60)55-42(37)62/h11-13,15,17,19-20,26,29,37,53H,2-10,14,16,18,21-25,27-28H2,1H3,(H,54,59)(H,55,60,62)/t29-,37?,47+/m0/s1.

What are the key properties of 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide?

12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide has a molecular weight of 934.98 g/mol, XLogP of 7.51, 20 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(5R)-3-[2-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide is sourced from PubChem (CID 163797737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).