3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one

C25H48N2O — CID 139892665

IUPAC3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCC1CCN(C2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C25H48N2O/c1-6-7-8-9-10-11-12-13-14-15-16-21-17-18-27(23(21)28)22-19-24(2,3)26-25(4,5)20-22/h21-22,26H,6-20H2,1-5H3
InChIKeyIJBSOFASLJYMQN-UHFFFAOYSA-N
MW392.67 g/mol
LogP6.46
Rot. Bonds12

About 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one

3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 139892665) has the molecular formula C25H48N2O and a molecular weight of 392.67 g/mol. Its IUPAC name is 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID139892665
Molecular FormulaC25H48N2O
Molecular Weight392.67 g/mol
Exact Mass392.38
IUPAC Name3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCC1CCN(C2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C25H48N2O/c1-6-7-8-9-10-11-12-13-14-15-16-21-17-18-27(23(21)28)22-19-24(2,3)26-25(4,5)20-22/h21-22,26H,6-20H2,1-5H3
InChIKeyIJBSOFASLJYMQN-UHFFFAOYSA-N
XLogP6.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one (CID 139892665) is 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one is CCCCCCCCCCCCC1CCN(C2CC(C)(C)NC(C)(C)C2)C1=O.
What is the InChIKey of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is IJBSOFASLJYMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2O/c1-6-7-8-9-10-11-12-13-14-15-16-21-17-18-27(23(21)28)22-19-24(2,3)26-25(4,5)20-22/h21-22,26H,6-20H2,1-5H3.
What are the key properties of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one?
3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 392.67 g/mol, XLogP of 6.46, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 139892665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).