3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine

C34H65N3O2 — CID 174334288

IUPAC3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine
SMILESCC1CCCN(C)C1(C)C.CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C25H46N2O2.C9H19N/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21;1-8-6-5-7-10(4)9(8,2)3/h20-21,26H,6-19H2,1-5H3;8H,5-7H2,1-4H3
InChIKeyFDLGFDOECUIDBB-UHFFFAOYSA-N
MW547.91 g/mol
LogP8.11
Rot. Bonds12

About 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine

3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine (PubChem CID 174334288) has the molecular formula C34H65N3O2 and a molecular weight of 547.91 g/mol. Its IUPAC name is 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine.

Molecular Properties

Compound Name3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine
PubChem CID174334288
Molecular FormulaC34H65N3O2
Molecular Weight547.91 g/mol
Exact Mass547.51
IUPAC Name3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine
SMILESCC1CCCN(C)C1(C)C.CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C25H46N2O2.C9H19N/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21;1-8-6-5-7-10(4)9(8,2)3/h20-21,26H,6-19H2,1-5H3;8H,5-7H2,1-4H3
InChIKeyFDLGFDOECUIDBB-UHFFFAOYSA-N
XLogP8.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.91
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine?
The IUPAC name of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine (CID 174334288) is 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine.
What is the SMILES notation for 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine?
The canonical SMILES for 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine is CC1CCCN(C)C1(C)C.CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O.
What is the InChIKey of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine?
The InChIKey is FDLGFDOECUIDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O2.C9H19N/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21;1-8-6-5-7-10(4)9(8,2)3/h20-21,26H,6-19H2,1-5H3;8H,5-7H2,1-4H3.
What are the key properties of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine?
3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine has a molecular weight of 547.91 g/mol, XLogP of 8.11, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine is sourced from PubChem (CID 174334288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).