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

C25H46N2O2 — CID 22389653

IUPAC1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCN1C(=O)CC(C2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-27-22(28)17-21(23(27)29)20-18-24(2,3)26-25(4,5)19-20/h20-21,26H,6-19H2,1-5H3
InChIKeyUETQPEUWDXZREQ-UHFFFAOYSA-N
MW406.66 g/mol
LogP5.84
Rot. Bonds12

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

1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 22389653) has the molecular formula C25H46N2O2 and a molecular weight of 406.66 g/mol. Its IUPAC name is 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID22389653
Molecular FormulaC25H46N2O2
Molecular Weight406.66 g/mol
Exact Mass406.36
IUPAC Name1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCN1C(=O)CC(C2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-27-22(28)17-21(23(27)29)20-18-24(2,3)26-25(4,5)19-20/h20-21,26H,6-19H2,1-5H3
InChIKeyUETQPEUWDXZREQ-UHFFFAOYSA-N
XLogP5.84
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 ≤ 55.84
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 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 22389653) is 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCCCCCCCCN1C(=O)CC(C2CC(C)(C)NC(C)(C)C2)C1=O.
What is the InChIKey of 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is UETQPEUWDXZREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-27-22(28)17-21(23(27)29)20-18-24(2,3)26-25(4,5)19-20/h20-21,26H,6-19H2,1-5H3.
What are the key properties of 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 406.66 g/mol, XLogP of 5.84, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 22389653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).