N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide

C29H25F3N4O4 — CID 123406159

About N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide

N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide (PubChem CID 123406159) has the molecular formula C29H25F3N4O4 and a molecular weight of 550.54 g/mol. Its IUPAC name is N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide.

Molecular Properties

• Compound Name: N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide
• PubChem CID: 123406159
• Molecular Formula: C29H25F3N4O4
• Molecular Weight: 550.54 g/mol
• Exact Mass: 550.18
• IUPAC Name: N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide
• SMILES: CC1C(c2ccccc2)CC(NC(=O)c2ccc3c(c2)CC2(O3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F
• InChI: InChI=1S/C29H25F3N4O4/c1-16-20(17-6-3-2-4-7-17)13-22(26(38)36(16)15-29(30,31)32)34-25(37)18-9-10-23-19(12-18)14-28(40-23)21-8-5-11-33-24(21)35-27(28)39/h2-12,16,20,22H,13-15H2,1H3,(H,34,37)(H,33,35,39)
• InChIKey: FLIDVDHQVHAMRL-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.54
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide?

The IUPAC name of N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide (CID 123406159) is N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide.

What is the SMILES notation for N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide?

The canonical SMILES for N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide is CC1C(c2ccccc2)CC(NC(=O)c2ccc3c(c2)CC2(O3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F.

What is the InChIKey of N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide?

The InChIKey is FLIDVDHQVHAMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N4O4/c1-16-20(17-6-3-2-4-7-17)13-22(26(38)36(16)15-29(30,31)32)34-25(37)18-9-10-23-19(12-18)14-28(40-23)21-8-5-11-33-24(21)35-27(28)39/h2-12,16,20,22H,13-15H2,1H3,(H,34,37)(H,33,35,39).

What are the key properties of N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide?

N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide has a molecular weight of 550.54 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-3H-1-benzofuran]-5'-carboxamide is sourced from PubChem (CID 123406159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).