1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione

C24H42N2O2 — CID 143398670

IUPAC1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
SMILESC=C1CC(N2C(=O)CC(CCCCCCCCCCCC)C2=O)CC(C)(C)N1
InChIInChI=1S/C24H42N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-20-17-22(27)26(23(20)28)21-16-19(2)25-24(3,4)18-21/h20-21,25H,2,5-18H2,1,3-4H3
InChIKeyYFSSVLPCOQSJBH-UHFFFAOYSA-N
MW390.61 g/mol
LogP5.72
Rot. Bonds12

About 1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione

1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione (PubChem CID 143398670) has the molecular formula C24H42N2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is 1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
PubChem CID143398670
Molecular FormulaC24H42N2O2
Molecular Weight390.61 g/mol
Exact Mass390.32
IUPAC Name1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
SMILESC=C1CC(N2C(=O)CC(CCCCCCCCCCCC)C2=O)CC(C)(C)N1
InChIInChI=1S/C24H42N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-20-17-22(27)26(23(20)28)21-16-19(2)25-24(3,4)18-21/h20-21,25H,2,5-18H2,1,3-4H3
InChIKeyYFSSVLPCOQSJBH-UHFFFAOYSA-N
XLogP5.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 55.72
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

2,5-Pyrrolidinedione, 3-dodecyl-1-(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 174179
3-(2-Dodecenyl)-1-(2,2,6,6-tetramethyl-4-piperidyl)pyrrolidine-2,5-dione
CID 6365970
3-(2-Dodecen-1-yl)-1-(2,2,6,6-tetramethyl-4-piperidinyl)-2,5-pyrrolidinedione
CID 3019935
3-Decyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 68575313
3-Tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 170842601
3-Methyl-4-(3-methylpentyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 20609188
3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 23065687
3-Dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine
CID 23086802
3-Methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 58004422
3-Methyl-4-(2-methyltetracosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 58004429
3-(2,3-Dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 58058435
N-[3-[3-(methylamino)propylamino]propyl]-4-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohex-3-en-1-yl]butanamide
CID 59058706

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione (CID 143398670) is 1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione is C=C1CC(N2C(=O)CC(CCCCCCCCCCCC)C2=O)CC(C)(C)N1.
What is the InChIKey of 1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione?
The InChIKey is YFSSVLPCOQSJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-20-17-22(27)26(23(20)28)21-16-19(2)25-24(3,4)18-21/h20-21,25H,2,5-18H2,1,3-4H3.
What are the key properties of 1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione?
1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione has a molecular weight of 390.61 g/mol, XLogP of 5.72, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione is sourced from PubChem (CID 143398670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).