5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione

C27H48N2O2 — CID 67378367

IUPAC5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione
SMILESCCCCCCCCCCCCC1=CC(=O)CN(C2CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C27H48N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-22-18-24(30)21-29(25(22)31)23-19-26(2,3)28(6)27(4,5)20-23/h18,23H,7-17,19-21H2,1-6H3
InChIKeyKJIRJXQZZVPQBM-UHFFFAOYSA-N
MW432.69 g/mol
LogP6.29
Rot. Bonds12

About 5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione

5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione (PubChem CID 67378367) has the molecular formula C27H48N2O2 and a molecular weight of 432.69 g/mol. Its IUPAC name is 5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione.

Molecular Properties

Compound Name5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione
PubChem CID67378367
Molecular FormulaC27H48N2O2
Molecular Weight432.69 g/mol
Exact Mass432.37
IUPAC Name5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione
SMILESCCCCCCCCCCCCC1=CC(=O)CN(C2CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C27H48N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-22-18-24(30)21-29(25(22)31)23-19-26(2,3)28(6)27(4,5)20-23/h18,23H,7-17,19-21H2,1-6H3
InChIKeyKJIRJXQZZVPQBM-UHFFFAOYSA-N
XLogP6.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.69
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione?
The IUPAC name of 5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione (CID 67378367) is 5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione.
What is the SMILES notation for 5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione?
The canonical SMILES for 5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione is CCCCCCCCCCCCC1=CC(=O)CN(C2CC(C)(C)N(C)C(C)(C)C2)C1=O.
What is the InChIKey of 5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione?
The InChIKey is KJIRJXQZZVPQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-22-18-24(30)21-29(25(22)31)23-19-26(2,3)28(6)27(4,5)20-23/h18,23H,7-17,19-21H2,1-6H3.
What are the key properties of 5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione?
5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione has a molecular weight of 432.69 g/mol, XLogP of 6.29, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-pyridine-3,6-dione is sourced from PubChem (CID 67378367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).