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

C27H48N2O3 — CID 154520692

IUPAC3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(=O)NC1=O
InChIInChI=1S/C27H48N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-27(20-23(31)28-24(27)32)22-18-25(3,4)29(21(2)30)26(5,6)19-22/h22H,7-20H2,1-6H3,(H,28,31,32)
InChIKeyCAWXMYLEPLBMIE-UHFFFAOYSA-N
MW448.69 g/mol
LogP6.15
Rot. Bonds12

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

3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione (PubChem CID 154520692) has the molecular formula C27H48N2O3 and a molecular weight of 448.69 g/mol. Its IUPAC name is 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
PubChem CID154520692
Molecular FormulaC27H48N2O3
Molecular Weight448.69 g/mol
Exact Mass448.37
IUPAC Name3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(=O)NC1=O
InChIInChI=1S/C27H48N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-27(20-23(31)28-24(27)32)22-18-25(3,4)29(21(2)30)26(5,6)19-22/h22H,7-20H2,1-6H3,(H,28,31,32)
InChIKeyCAWXMYLEPLBMIE-UHFFFAOYSA-N
XLogP6.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 56.15
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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Related Compounds

3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 67077287
3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione
CID 175053421
3-hydroxy-3-tetradecylpyrrolidine-2,5-dione
CID 139791197
N-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N-dodecylacetamide
CID 71322405
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate
CID 20778574
1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
CID 151336850
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione
CID 79320763
4-butyl-4-methylazetidin-2-one
CID 100957433
3-acetyl-2,2,4,4-tetramethyl-5-tetradecyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
CID 139902789
3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione
CID 70179423
(5S)-9-acetyl-1-pentyl-9-azabicyclo[3.3.1]nonan-3-one
CID 135039954

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione (CID 154520692) is 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione is CCCCCCCCCCCCC1(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(=O)NC1=O.
What is the InChIKey of 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione?
The InChIKey is CAWXMYLEPLBMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-27(20-23(31)28-24(27)32)22-18-25(3,4)29(21(2)30)26(5,6)19-22/h22H,7-20H2,1-6H3,(H,28,31,32).
What are the key properties of 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione?
3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione has a molecular weight of 448.69 g/mol, XLogP of 6.15, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione is sourced from PubChem (CID 154520692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).