3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione

C20H25FN2O4 — CID 45166500

IUPAC3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(CC(=O)N2CCCCC2CCO)(c2cccc(F)c2)C1=O
InChIInChI=1S/C20H25FN2O4/c1-22-17(25)12-20(19(22)27,14-5-4-6-15(21)11-14)13-18(26)23-9-3-2-7-16(23)8-10-24/h4-6,11,16,24H,2-3,7-10,12-13H2,1H3
InChIKeyQHFSWHQKTWGDKC-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.61
Rot. Bonds5

About 3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione

3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione (PubChem CID 45166500) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
PubChem CID45166500
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(CC(=O)N2CCCCC2CCO)(c2cccc(F)c2)C1=O
InChIInChI=1S/C20H25FN2O4/c1-22-17(25)12-20(19(22)27,14-5-4-6-15(21)11-14)13-18(26)23-9-3-2-7-16(23)8-10-24/h4-6,11,16,24H,2-3,7-10,12-13H2,1H3
InChIKeyQHFSWHQKTWGDKC-UHFFFAOYSA-N
XLogP1.61
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,8-Diazabicyclo(3.2.1)octane, 3-((2'-hydroxymethyl-2'-phenyl)propionyl)-8-methyl-, (+,-)-
CID 115607
3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(1-methyltropoyl)-, hydrochloride
CID 3056680
1-[2-Cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-2-(2-fluorophenyl)-1-ethanone
CID 91921849
2-(2-fluorophenyl)-1-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 129447169
8-(2,2-Dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione
CID 16668654
2-Ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione
CID 16674243
(3R)-1-ethyl-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 26274608
2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide
CID 42347665
1-Ethyl-3-{2-[2-(methoxymethyl)-1-piperidinyl]-2-oxoethyl}-3-[3-(trifluoromethyl)phenyl]-2,5-pyrrolidinedione
CID 45168018
1-Cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 45168326
2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxo-3-pyrrolidinyl]-N-methyl-N-(tetrahydro-3-furanyl)acetamide
CID 45170586
2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide
CID 45171450

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione (CID 45166500) is 3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(CC(=O)N2CCCCC2CCO)(c2cccc(F)c2)C1=O.
What is the InChIKey of 3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is QHFSWHQKTWGDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4/c1-22-17(25)12-20(19(22)27,14-5-4-6-15(21)11-14)13-18(26)23-9-3-2-7-16(23)8-10-24/h4-6,11,16,24H,2-3,7-10,12-13H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione?
3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 376.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 45166500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).