1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione

C27H48N2O3 — CID 69414398

IUPAC1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione
SMILESCC(=O)N1C(C)(C)CC(CCCCCCCCCCCCN2C(=O)CCC2=O)CC1(C)C
InChIInChI=1S/C27H48N2O3/c1-22(30)29-26(2,3)20-23(21-27(29,4)5)16-14-12-10-8-6-7-9-11-13-15-19-28-24(31)17-18-25(28)32/h23H,6-21H2,1-5H3
InChIKeyUSNUEFVSYYBQRD-UHFFFAOYSA-N
MW448.69 g/mol
LogP6.24
Rot. Bonds13

About 1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione

1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione (PubChem CID 69414398) has the molecular formula C27H48N2O3 and a molecular weight of 448.69 g/mol. Its IUPAC name is 1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione
PubChem CID69414398
Molecular FormulaC27H48N2O3
Molecular Weight448.69 g/mol
Exact Mass448.37
IUPAC Name1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione
SMILESCC(=O)N1C(C)(C)CC(CCCCCCCCCCCCN2C(=O)CCC2=O)CC1(C)C
InChIInChI=1S/C27H48N2O3/c1-22(30)29-26(2,3)20-23(21-27(29,4)5)16-14-12-10-8-6-7-9-11-13-15-19-28-24(31)17-18-25(28)32/h23H,6-21H2,1-5H3
InChIKeyUSNUEFVSYYBQRD-UHFFFAOYSA-N
XLogP6.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 56.24
H-Bond Donors ≤ 50
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-[12-(1-acetyl-2,2,6,6-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-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione (CID 69414398) is 1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione is CC(=O)N1C(C)(C)CC(CCCCCCCCCCCCN2C(=O)CCC2=O)CC1(C)C.
What is the InChIKey of 1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione?
The InChIKey is USNUEFVSYYBQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O3/c1-22(30)29-26(2,3)20-23(21-27(29,4)5)16-14-12-10-8-6-7-9-11-13-15-19-28-24(31)17-18-25(28)32/h23H,6-21H2,1-5H3.
What are the key properties of 1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione?
1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione has a molecular weight of 448.69 g/mol, XLogP of 6.24, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 69414398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).