1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione

C19H19FN2O3 — CID 73319655

IUPAC1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
SMILESO=C1NCC(Cc2ccc(O)cc2)N(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C19H19FN2O3/c20-15-3-1-2-13(10-15)8-9-22-16(12-21-18(24)19(22)25)11-14-4-6-17(23)7-5-14/h1-7,10,16,23H,8-9,11-12H2,(H,21,24)
InChIKeyFDSLKPBYAWERHZ-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione

1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione (PubChem CID 73319655) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
PubChem CID73319655
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
SMILESO=C1NCC(Cc2ccc(O)cc2)N(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C19H19FN2O3/c20-15-3-1-2-13(10-15)8-9-22-16(12-21-18(24)19(22)25)11-14-4-6-17(23)7-5-14/h1-7,10,16,23H,8-9,11-12H2,(H,21,24)
InChIKeyFDSLKPBYAWERHZ-UHFFFAOYSA-N
XLogP1.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-aminobutyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
CID 73319651
7-benzyl-1-[2-(4-fluorophenyl)ethyl]-1,3,5-triazepane-2,4-dione
CID 101155743
(5S)-4-benzyl-1-[4-[(2R)-1-benzyl-5,6-dioxopiperazin-2-yl]butyl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
CID 53301817
(5S)-4-[2-(4-hydroxyphenyl)ethyl]-1-[4-[(2S)-1-[2-(4-hydroxyphenyl)ethyl]-5,6-dioxopiperazin-2-yl]butyl]-5-(2-methylpropyl)piperazine-2,3-dione
CID 53300331
1-[4-[(2R)-1-benzyl-5,6-dioxopiperazin-2-yl]butyl]-4-[2-(4-hydroxyphenyl)ethyl]piperazine-2,3-dione
CID 53301819
(5S)-1-[4-[(2S)-1-benzyl-5,6-dioxopiperazin-2-yl]butyl]-4-[2-(4-hydroxyphenyl)ethyl]-5-(2-methylpropyl)piperazine-2,3-dione
CID 53299710
6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 73319659
4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione
CID 63789963
1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 64960861
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
(6S)-6-benzyl-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281013

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione (CID 73319655) is 1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione is O=C1NCC(Cc2ccc(O)cc2)N(CCc2cccc(F)c2)C1=O.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione?
The InChIKey is FDSLKPBYAWERHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-3-1-2-13(10-15)8-9-22-16(12-21-18(24)19(22)25)11-14-4-6-17(23)7-5-14/h1-7,10,16,23H,8-9,11-12H2,(H,21,24).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione?
1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione has a molecular weight of 342.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione is sourced from PubChem (CID 73319655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).