1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione

C17H20F2N2O3 — CID 17228705

IUPAC1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCC2CCO)C(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C17H20F2N2O3/c18-13-5-4-12(9-14(13)19)21-16(23)10-15(17(21)24)20-7-2-1-3-11(20)6-8-22/h4-5,9,11,15,22H,1-3,6-8,10H2
InChIKeyGQPJOMGRXBUZNH-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.83
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione

1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 17228705) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID17228705
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCC2CCO)C(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C17H20F2N2O3/c18-13-5-4-12(9-14(13)19)21-16(23)10-15(17(21)24)20-7-2-1-3-11(20)6-8-22/h4-5,9,11,15,22H,1-3,6-8,10H2
InChIKeyGQPJOMGRXBUZNH-UHFFFAOYSA-N
XLogP1.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.83
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-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 4894678
(3S)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 7376153
(3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 6354366
(3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7353385
(3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 27520218
(3R)-1-(5-chloro-2-methylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 124542459
(3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 40771838
(3R)-1-(2,5-dimethylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 124833973
1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 17324587
(3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione
CID 29158100
ethyl 1-[1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 17035917
1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 17228704

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 17228705) is 1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCCCC2CCO)C(=O)N1c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is GQPJOMGRXBUZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c18-13-5-4-12(9-14(13)19)21-16(23)10-15(17(21)24)20-7-2-1-3-11(20)6-8-22/h4-5,9,11,15,22H,1-3,6-8,10H2.
What are the key properties of 1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 338.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 17228705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).