5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C31H38N2O6S — CID 139636551

About 5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 139636551) has the molecular formula C31H38N2O6S and a molecular weight of 566.72 g/mol. Its IUPAC name is 5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 139636551
• Molecular Formula: C31H38N2O6S
• Molecular Weight: 566.72 g/mol
• Exact Mass: 566.25
• IUPAC Name: 5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: Cc1c(C)c2c(c(C)c1OCC(=O)N1CCCCC1)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
• InChI: InChI=1S/C31H38N2O6S/c1-19-20(2)28-24(21(3)27(19)37-17-26(34)33-14-6-5-7-15-33)12-13-31(4,39-28)18-38-23-10-8-22(9-11-23)16-25-29(35)32-30(36)40-25/h8-11,25H,5-7,12-18H2,1-4H3,(H,32,35,36)
• InChIKey: UIEOXOFGTRXXFL-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.72
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 139636551) is 5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1c(C)c2c(c(C)c1OCC(=O)N1CCCCC1)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2.

What is the InChIKey of 5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is UIEOXOFGTRXXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O6S/c1-19-20(2)28-24(21(3)27(19)37-17-26(34)33-14-6-5-7-15-33)12-13-31(4,39-28)18-38-23-10-8-22(9-11-23)16-25-29(35)32-30(36)40-25/h8-11,25H,5-7,12-18H2,1-4H3,(H,32,35,36).

What are the key properties of 5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 566.72 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 139636551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).