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

C27H50N2O2 — CID 170842601

IUPAC3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C27H50N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-24(30)29(25(22)31)23-20-26(2,3)28-27(4,5)21-23/h22-23,28H,6-21H2,1-5H3
InChIKeyBJKGIBMSXZPVGX-UHFFFAOYSA-N
MW434.71 g/mol
LogP6.76
Rot. Bonds14

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

3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 170842601) has the molecular formula C27H50N2O2 and a molecular weight of 434.71 g/mol. Its IUPAC name is 3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID170842601
Molecular FormulaC27H50N2O2
Molecular Weight434.71 g/mol
Exact Mass434.39
IUPAC Name3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C27H50N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-24(30)29(25(22)31)23-20-26(2,3)28-27(4,5)21-23/h22-23,28H,6-21H2,1-5H3
InChIKeyBJKGIBMSXZPVGX-UHFFFAOYSA-N
XLogP6.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.71
LogP ≤ 56.76
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-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 170842601) is 3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O.
What is the InChIKey of 3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is BJKGIBMSXZPVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-24(30)29(25(22)31)23-20-26(2,3)28-27(4,5)21-23/h22-23,28H,6-21H2,1-5H3.
What are the key properties of 3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 434.71 g/mol, XLogP of 6.76, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 170842601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).