1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione

C25H46N2O2 — CID 174641431

IUPAC1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione
SMILESCCCCCCC(CCCC(C)(C)C(C)(C)N1C(=O)CCC1=O)C1CCNCC1
InChIInChI=1S/C25H46N2O2/c1-6-7-8-9-11-20(21-15-18-26-19-16-21)12-10-17-24(2,3)25(4,5)27-22(28)13-14-23(27)29/h20-21,26H,6-19H2,1-5H3
InChIKeyUGBHUJJHTATOAN-UHFFFAOYSA-N
MW406.66 g/mol
LogP5.70
Rot. Bonds12

About 1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione

1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione (PubChem CID 174641431) has the molecular formula C25H46N2O2 and a molecular weight of 406.66 g/mol. Its IUPAC name is 1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione
PubChem CID174641431
Molecular FormulaC25H46N2O2
Molecular Weight406.66 g/mol
Exact Mass406.36
IUPAC Name1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione
SMILESCCCCCCC(CCCC(C)(C)C(C)(C)N1C(=O)CCC1=O)C1CCNCC1
InChIInChI=1S/C25H46N2O2/c1-6-7-8-9-11-20(21-15-18-26-19-16-21)12-10-17-24(2,3)25(4,5)27-22(28)13-14-23(27)29/h20-21,26H,6-19H2,1-5H3
InChIKeyUGBHUJJHTATOAN-UHFFFAOYSA-N
XLogP5.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 55.70
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

1-piperidin-4-ylundecan-1-ol
CID 80560155
4-octan-4-ylpiperidine
CID 143122305
3-(2,3,3,4-tetramethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione
CID 174296560
3-nonan-3-ylpyrrolidine
CID 146488434
4-(1-fluoroundecyl)piperidine
CID 112563659
4-heptan-2-ylpiperidine
CID 143122379
1-piperidin-4-ylpentan-1-ol
CID 19599407
hexadecan-8-ylcyclohexane
CID 91510029
3-tridecan-7-ylpyrrolidin-2-one
CID 167077017
4-cyclopropylheptadecanoic acid
CID 68637833
(2,5-dioxopyrrolidin-1-yl) 2-methyl-2-undecyltridecanoate
CID 141487182
undecan-5-ylcyclohexane
CID 524419

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione (CID 174641431) is 1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione is CCCCCCC(CCCC(C)(C)C(C)(C)N1C(=O)CCC1=O)C1CCNCC1.
What is the InChIKey of 1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is UGBHUJJHTATOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O2/c1-6-7-8-9-11-20(21-15-18-26-19-16-21)12-10-17-24(2,3)25(4,5)27-22(28)13-14-23(27)29/h20-21,26H,6-19H2,1-5H3.
What are the key properties of 1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione?
1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 406.66 g/mol, XLogP of 5.70, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trimethyl-7-piperidin-4-yltridecan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 174641431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).