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

C27H48N2O3 — CID 175053421

IUPAC3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1C(=O)NC(=O)C1C1CC(C)(C)N(C(C)=O)C(C)(C)C1
InChIInChI=1S/C27H48N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-22-23(25(32)28-24(22)31)21-18-26(3,4)29(20(2)30)27(5,6)19-21/h21-23H,7-19H2,1-6H3,(H,28,31,32)
InChIKeyFVXIQMDPEOZWMJ-UHFFFAOYSA-N
MW448.69 g/mol
LogP6.00
Rot. Bonds12

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

3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione (PubChem CID 175053421) 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)-4-dodecylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione
PubChem CID175053421
Molecular FormulaC27H48N2O3
Molecular Weight448.69 g/mol
Exact Mass448.37
IUPAC Name3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1C(=O)NC(=O)C1C1CC(C)(C)N(C(C)=O)C(C)(C)C1
InChIInChI=1S/C27H48N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-22-23(25(32)28-24(22)31)21-18-26(3,4)29(20(2)30)27(5,6)19-21/h21-23H,7-19H2,1-6H3,(H,28,31,32)
InChIKeyFVXIQMDPEOZWMJ-UHFFFAOYSA-N
XLogP6.00
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 ≤ 56.00
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-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
CID 154520692
N-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N-dodecylacetamide
CID 71322405
4,7-didodecyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 141093259
1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
CID 151336850
1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione
CID 69414398
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate
CID 20778574
4-hydroxy-5-octylcyclopentane-1,2,3-trione
CID 90985729
4-decyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 141093247
3-acetyl-2,2,4,4-tetramethyl-5-tetradecyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
CID 139902789
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
4-hydroxy-3-pentylpyrrolidin-2-one
CID 67824798
4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine
CID 174944396

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione (CID 175053421) is 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione is CCCCCCCCCCCCC1C(=O)NC(=O)C1C1CC(C)(C)N(C(C)=O)C(C)(C)C1.
What is the InChIKey of 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione?
The InChIKey is FVXIQMDPEOZWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-22-23(25(32)28-24(22)31)21-18-26(3,4)29(20(2)30)27(5,6)19-21/h21-23H,7-19H2,1-6H3,(H,28,31,32).
What are the key properties of 3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione?
3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione has a molecular weight of 448.69 g/mol, XLogP of 6.00, 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)-4-dodecylpyrrolidine-2,5-dione is sourced from PubChem (CID 175053421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).