bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

C94H92F6N12O12 — CID 161320571

About bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (PubChem CID 161320571) has the molecular formula C94H92F6N12O12 and a molecular weight of 1695.83 g/mol. Its IUPAC name is bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

Molecular Properties

• Compound Name: bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
• PubChem CID: 161320571
• Molecular Formula: C94H92F6N12O12
• Molecular Weight: 1695.83 g/mol
• Exact Mass: 1694.69
• IUPAC Name: bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
• SMILES: CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CC1O.CCC1(CC)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CC1O.CCC1(CC)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CC1O
• InChI: InChI=1S/2C32H32F2N4O4.C30H28F2N4O4/c2*1-3-31(4-2)26(39)14-25(19-10-21(33)13-22(34)11-19)38(30(31)42)17-27(40)36-23-8-7-18-15-32(16-20(18)12-23)24-6-5-9-35-28(24)37-29(32)41;1-29(2)24(37)12-23(17-8-19(31)11-20(32)9-17)36(28(29)40)15-25(38)34-21-6-5-16-13-30(14-18(16)10-21)22-4-3-7-33-26(22)35-27(30)39/h2*5-13,25-26,39H,3-4,14-17H2,1-2H3,(H,36,40)(H,35,37,41);3-11,23-24,37H,12-15H2,1-2H3,(H,34,38)(H,33,35,39)
• InChIKey: VKBWFUSOOCMARF-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 334.89 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1695.83
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?

The IUPAC name of bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (CID 161320571) is bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

What is the SMILES notation for bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?

The canonical SMILES for bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CC1O.CCC1(CC)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CC1O.CCC1(CC)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CC1O.

What is the InChIKey of bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?

The InChIKey is VKBWFUSOOCMARF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H32F2N4O4.C30H28F2N4O4/c2*1-3-31(4-2)26(39)14-25(19-10-21(33)13-22(34)11-19)38(30(31)42)17-27(40)36-23-8-7-18-15-32(16-20(18)12-23)24-6-5-9-35-28(24)37-29(32)41;1-29(2)24(37)12-23(17-8-19(31)11-20(32)9-17)36(28(29)40)15-25(38)34-21-6-5-16-13-30(14-18(16)10-21)22-4-3-7-33-26(22)35-27(30)39/h2*5-13,25-26,39H,3-4,14-17H2,1-2H3,(H,36,40)(H,35,37,41);3-11,23-24,37H,12-15H2,1-2H3,(H,34,38)(H,33,35,39).

What are the key properties of bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?

bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide has a molecular weight of 1695.83 g/mol, XLogP of 12.50, 16 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is sourced from PubChem (CID 161320571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).