3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione

C35H65N3O2 — CID 57184543

About 3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione

3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 57184543) has the molecular formula C35H65N3O2 and a molecular weight of 559.92 g/mol. Its IUPAC name is 3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
• PubChem CID: 57184543
• Molecular Formula: C35H65N3O2
• Molecular Weight: 559.92 g/mol
• Exact Mass: 559.51
• IUPAC Name: 3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
• SMILES: CCCCCCCCCCCCC1(C2CC(C)(C)N(C)C(C)(C)C2)CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O
• InChI: InChI=1S/C35H65N3O2/c1-11-12-13-14-15-16-17-18-19-20-21-35(27-22-33(6,7)37(10)34(8,9)23-27)26-29(39)38(30(35)40)28-24-31(2,3)36-32(4,5)25-28/h27-28,36H,11-26H2,1-10H3
• InChIKey: MJKPCPGATDAGBT-UHFFFAOYSA-N
• XLogP: 8.25
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.92
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?

The IUPAC name of 3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 57184543) is 3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.

What is the SMILES notation for 3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?

The canonical SMILES for 3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCCCCCCCCC1(C2CC(C)(C)N(C)C(C)(C)C2)CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O.

What is the InChIKey of 3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?

The InChIKey is MJKPCPGATDAGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H65N3O2/c1-11-12-13-14-15-16-17-18-19-20-21-35(27-22-33(6,7)37(10)34(8,9)23-27)26-29(39)38(30(35)40)28-24-31(2,3)36-32(4,5)25-28/h27-28,36H,11-26H2,1-10H3.

What are the key properties of 3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?

3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 559.92 g/mol, XLogP of 8.25, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 57184543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).