1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione

C23H38N2O2 — CID 89378419

IUPAC1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
SMILESC=C1CC(N2C(=O)CC(CCCCCCCCCCCC)C2=O)CC(=C)N1
InChIInChI=1S/C23H38N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-20-17-22(26)25(23(20)27)21-15-18(2)24-19(3)16-21/h20-21,24H,2-17H2,1H3
InChIKeyHGAQAJSQAHVOOI-UHFFFAOYSA-N
MW374.57 g/mol
LogP5.45
Rot. Bonds12

About 1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione

1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione (PubChem CID 89378419) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
PubChem CID89378419
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC Name1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
SMILESC=C1CC(N2C(=O)CC(CCCCCCCCCCCC)C2=O)CC(=C)N1
InChIInChI=1S/C23H38N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-20-17-22(26)25(23(20)27)21-15-18(2)24-19(3)16-21/h20-21,24H,2-17H2,1H3
InChIKeyHGAQAJSQAHVOOI-UHFFFAOYSA-N
XLogP5.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.45
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-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione (CID 89378419) is 1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione is C=C1CC(N2C(=O)CC(CCCCCCCCCCCC)C2=O)CC(=C)N1.
What is the InChIKey of 1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione?
The InChIKey is HGAQAJSQAHVOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-20-17-22(26)25(23(20)27)21-15-18(2)24-19(3)16-21/h20-21,24H,2-17H2,1H3.
What are the key properties of 1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione?
1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione has a molecular weight of 374.57 g/mol, XLogP of 5.45, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione is sourced from PubChem (CID 89378419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).