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

C25H46N2O2 — CID 130273704

IUPAC1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCC(C1CC(C)(C)NC(C)C1C)N1C(=O)CCC1=O
InChIInChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-22(27-23(28)16-17-24(27)29)21-18-25(4,5)26-20(3)19(21)2/h19-22,26H,6-18H2,1-5H3
InChIKeyPJUUPCXXJCRHNJ-UHFFFAOYSA-N
MW406.66 g/mol
LogP5.84
Rot. Bonds12

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

1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione (PubChem CID 130273704) has the molecular formula C25H46N2O2 and a molecular weight of 406.66 g/mol. Its IUPAC name is 1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione
PubChem CID130273704
Molecular FormulaC25H46N2O2
Molecular Weight406.66 g/mol
Exact Mass406.36
IUPAC Name1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCC(C1CC(C)(C)NC(C)C1C)N1C(=O)CCC1=O
InChIInChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-22(27-23(28)16-17-24(27)29)21-18-25(4,5)26-20(3)19(21)2/h19-22,26H,6-18H2,1-5H3
InChIKeyPJUUPCXXJCRHNJ-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'}

Analyze 1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione (CID 130273704) is 1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione is CCCCCCCCCCCC(C1CC(C)(C)NC(C)C1C)N1C(=O)CCC1=O.
What is the InChIKey of 1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione?
The InChIKey is PJUUPCXXJCRHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-22(27-23(28)16-17-24(27)29)21-18-25(4,5)26-20(3)19(21)2/h19-22,26H,6-18H2,1-5H3.
What are the key properties of 1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione?
1-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]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-[1-(2,2,5,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 130273704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).