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

C25H46N2O2 — CID 22624752

IUPAC3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1CC(=O)N(C2(C)CC(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-21-17-22(28)27(23(21)29)25(5)18-20(2)26-24(3,4)19-25/h20-21,26H,6-19H2,1-5H3
InChIKeyBHMUISKDACGDMK-UHFFFAOYSA-N
MW406.66 g/mol
LogP5.98
Rot. Bonds12

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

3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 22624752) has the molecular formula C25H46N2O2 and a molecular weight of 406.66 g/mol. Its IUPAC name is 3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID22624752
Molecular FormulaC25H46N2O2
Molecular Weight406.66 g/mol
Exact Mass406.36
IUPAC Name3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1CC(=O)N(C2(C)CC(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-21-17-22(28)27(23(21)29)25(5)18-20(2)26-24(3,4)19-25/h20-21,26H,6-19H2,1-5H3
InChIKeyBHMUISKDACGDMK-UHFFFAOYSA-N
XLogP5.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 22624752) is 3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCCCCCCCCC1CC(=O)N(C2(C)CC(C)NC(C)(C)C2)C1=O.
What is the InChIKey of 3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is BHMUISKDACGDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-21-17-22(28)27(23(21)29)25(5)18-20(2)26-24(3,4)19-25/h20-21,26H,6-19H2,1-5H3.
What are the key properties of 3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 406.66 g/mol, XLogP of 5.98, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 22624752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).