1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone

C33H60N2O3 — CID 91006445

IUPAC1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
SMILESCC(=O)N1C(C)(C)CC(CCCCCCCCCCCCCCCCCCn2c(O)ccc2O)CC1(C)C
InChIInChI=1S/C33H60N2O3/c1-28(36)35-32(2,3)26-29(27-33(35,4)5)22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-25-34-30(37)23-24-31(34)38/h23-24,29,37-38H,6-22,25-27H2,1-5H3
InChIKeyFFQFXADWEXXGSR-UHFFFAOYSA-N
MW532.85 g/mol
LogP9.35
Rot. Bonds19

About 1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone

1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone (PubChem CID 91006445) has the molecular formula C33H60N2O3 and a molecular weight of 532.85 g/mol. Its IUPAC name is 1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
PubChem CID91006445
Molecular FormulaC33H60N2O3
Molecular Weight532.85 g/mol
Exact Mass532.46
IUPAC Name1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
SMILESCC(=O)N1C(C)(C)CC(CCCCCCCCCCCCCCCCCCn2c(O)ccc2O)CC1(C)C
InChIInChI=1S/C33H60N2O3/c1-28(36)35-32(2,3)26-29(27-33(35,4)5)22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-25-34-30(37)23-24-31(34)38/h23-24,29,37-38H,6-22,25-27H2,1-5H3
InChIKeyFFQFXADWEXXGSR-UHFFFAOYSA-N
XLogP9.35
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.85
LogP ≤ 59.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-Dihydroxypyrrol-1-yl)-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
CID 53666381
1-Octadecylpyrrole-2,5-diol
CID 53699736
3-(2,5-Dihydroxypyrrol-1-yl)propyl-hexadecyl-dimethylazanium
CID 53718629
1-[4-(3-Dodecyl-2,5-dihydroxypyrrol-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
CID 53790980
1-[10-(Dimethylamino)decyl]pyrrole-2,5-diol
CID 53913410
1-[4-(3-Dodecan-3-yl-2,5-dihydroxypyrrol-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
CID 53933610
1-[4-[11-(2,5-Dihydroxypyrrol-1-yl)dodecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
CID 53935370
1-Docosylpyrrole-2,5-diol
CID 53947028
1-Hexadecylpyrrole-2,5-diol
CID 53969601
1-[12-(2,2,6,6-Tetramethylpiperidin-4-yl)dodecyl]pyrrole-2,5-diol
CID 54020209
1-[[4-(2,5-Dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
CID 54025835
1-(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol
CID 54061423

Frequently Asked Questions

What is the IUPAC name of 1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone (CID 91006445) is 1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone is CC(=O)N1C(C)(C)CC(CCCCCCCCCCCCCCCCCCn2c(O)ccc2O)CC1(C)C.
What is the InChIKey of 1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
The InChIKey is FFQFXADWEXXGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60N2O3/c1-28(36)35-32(2,3)26-29(27-33(35,4)5)22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-25-34-30(37)23-24-31(34)38/h23-24,29,37-38H,6-22,25-27H2,1-5H3.
What are the key properties of 1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone has a molecular weight of 532.85 g/mol, XLogP of 9.35, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[18-(2,5-dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 91006445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).