3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione

C20H32N2O4 — CID 123978092

IUPAC3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
SMILESCCCc1c(CCC(C)(CC)CC)c(O)n(C2CCC(=O)NC2=O)c1O
InChIInChI=1S/C20H32N2O4/c1-5-8-13-14(11-12-20(4,6-2)7-3)19(26)22(18(13)25)15-9-10-16(23)21-17(15)24/h15,25-26H,5-12H2,1-4H3,(H,21,23,24)
InChIKeyCJGNLMBHMSAQMP-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.59
Rot. Bonds8

About 3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione

3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione (PubChem CID 123978092) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
PubChem CID123978092
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
SMILESCCCc1c(CCC(C)(CC)CC)c(O)n(C2CCC(=O)NC2=O)c1O
InChIInChI=1S/C20H32N2O4/c1-5-8-13-14(11-12-20(4,6-2)7-3)19(26)22(18(13)25)15-9-10-16(23)21-17(15)24/h15,25-26H,5-12H2,1-4H3,(H,21,23,24)
InChIKeyCJGNLMBHMSAQMP-UHFFFAOYSA-N
XLogP3.59
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione 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

3-(2,4-Dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione
CID 90875092
3-(2,3-Diethyl-3-methylpentyl)-4-(3-methylpentan-3-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol
CID 90856551
3-(3-Ethyl-2,3-dimethylpentyl)-4-(3-methylpentan-3-yl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol
CID 91109881
1-[1-(1-Butyl-4-tert-butyl-2,5-dihydroxypyrrol-3-yl)-3,3-dimethylbutyl]pyrrolidin-2-one
CID 91462134
3-[3-[(1-Aminocycloheptyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
CID 123138296
3-[3-[(1-Aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
CID 123452489
6-Amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide
CID 123493209
3-[3-[(1-Aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
CID 123584046
3-(4-Amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione
CID 123645575
6-Amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide
CID 123723425
3-(6,8-Dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione
CID 166923720

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione (CID 123978092) is 3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione is CCCc1c(CCC(C)(CC)CC)c(O)n(C2CCC(=O)NC2=O)c1O.
What is the InChIKey of 3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is CJGNLMBHMSAQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-5-8-13-14(11-12-20(4,6-2)7-3)19(26)22(18(13)25)15-9-10-16(23)21-17(15)24/h15,25-26H,5-12H2,1-4H3,(H,21,23,24).
What are the key properties of 3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione?
3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 364.49 g/mol, XLogP of 3.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 123978092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).