3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione

C26H48N2O2 — CID 174296560

IUPAC3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione
SMILESCCCCCCC(CCC(C)C(C)(C)C(C)(C)C1CC(=O)NC1=O)C1CCNCC1
InChIInChI=1S/C26H48N2O2/c1-7-8-9-10-11-20(21-14-16-27-17-15-21)13-12-19(2)25(3,4)26(5,6)22-18-23(29)28-24(22)30/h19-22,27H,7-18H2,1-6H3,(H,28,29,30)
InChIKeyZEMMPCWUQJGCKO-UHFFFAOYSA-N
MW420.68 g/mol
LogP5.70
Rot. Bonds12

About 3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione

3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione (PubChem CID 174296560) has the molecular formula C26H48N2O2 and a molecular weight of 420.68 g/mol. Its IUPAC name is 3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione
PubChem CID174296560
Molecular FormulaC26H48N2O2
Molecular Weight420.68 g/mol
Exact Mass420.37
IUPAC Name3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione
SMILESCCCCCCC(CCC(C)C(C)(C)C(C)(C)C1CC(=O)NC1=O)C1CCNCC1
InChIInChI=1S/C26H48N2O2/c1-7-8-9-10-11-20(21-14-16-27-17-15-21)13-12-19(2)25(3,4)26(5,6)22-18-23(29)28-24(22)30/h19-22,27H,7-18H2,1-6H3,(H,28,29,30)
InChIKeyZEMMPCWUQJGCKO-UHFFFAOYSA-N
XLogP5.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.68
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)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

Related Compounds

1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione
CID 174641431
3-heptadecan-3-ylpyrrolidine-2,5-dione
CID 69050802
4-octan-4-ylpiperidine
CID 143122305
3-tridecan-7-ylpyrrolidin-2-one
CID 167077017
4-heptan-2-ylpiperidine
CID 143122379
3-nonan-3-ylpyrrolidine
CID 146488434
1-piperidin-4-ylundecan-1-ol
CID 80560155
4-(1-fluoroundecyl)piperidine
CID 112563659
3-pentadecan-8-ylsulfanylpyrrolidine-2,5-dione
CID 139407148
3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 118047902
hexadecan-8-ylcyclohexane
CID 91510029
4-cyclopropylheptadecanoic acid
CID 68637833

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione (CID 174296560) is 3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione is CCCCCCC(CCC(C)C(C)(C)C(C)(C)C1CC(=O)NC1=O)C1CCNCC1.
What is the InChIKey of 3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is ZEMMPCWUQJGCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O2/c1-7-8-9-10-11-20(21-14-16-27-17-15-21)13-12-19(2)25(3,4)26(5,6)22-18-23(29)28-24(22)30/h19-22,27H,7-18H2,1-6H3,(H,28,29,30).
What are the key properties of 3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione?
3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 420.68 g/mol, XLogP of 5.70, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 174296560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).