3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

C34H64N2O2 — CID 57148925

IUPAC3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCC1(CCCCCCCCCC)CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C34H64N2O2/c1-8-10-12-14-16-18-20-22-24-34(25-23-21-19-17-15-13-11-9-2)28-30(37)36(31(34)38)29-26-32(3,4)35(7)33(5,6)27-29/h29H,8-28H2,1-7H3
InChIKeyQPGORSKPBOOWCP-UHFFFAOYSA-N
MW532.90 g/mol
LogP9.44
Rot. Bonds19

About 3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 57148925) has the molecular formula C34H64N2O2 and a molecular weight of 532.90 g/mol. Its IUPAC name is 3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID57148925
Molecular FormulaC34H64N2O2
Molecular Weight532.90 g/mol
Exact Mass532.50
IUPAC Name3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCC1(CCCCCCCCCC)CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C34H64N2O2/c1-8-10-12-14-16-18-20-22-24-34(25-23-21-19-17-15-13-11-9-2)28-30(37)36(31(34)38)29-26-32(3,4)35(7)33(5,6)27-29/h29H,8-28H2,1-7H3
InChIKeyQPGORSKPBOOWCP-UHFFFAOYSA-N
XLogP9.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.90
LogP ≤ 59.44
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 57148925) is 3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCCCCCCC1(CCCCCCCCCC)CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O.
What is the InChIKey of 3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is QPGORSKPBOOWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64N2O2/c1-8-10-12-14-16-18-20-22-24-34(25-23-21-19-17-15-13-11-9-2)28-30(37)36(31(34)38)29-26-32(3,4)35(7)33(5,6)27-29/h29H,8-28H2,1-7H3.
What are the key properties of 3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 532.90 g/mol, XLogP of 9.44, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 57148925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).