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

C12H13FN2O2 — CID 63789963

IUPAC4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione
SMILESO=C1CN(CCc2cccc(F)c2)CC(=O)N1
InChIInChI=1S/C12H13FN2O2/c13-10-3-1-2-9(6-10)4-5-15-7-11(16)14-12(17)8-15/h1-3,6H,4-5,7-8H2,(H,14,16,17)
InChIKeyQYDNIVKSWDDPKQ-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.33
Rot. Bonds3

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

4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione (PubChem CID 63789963) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione
PubChem CID63789963
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione
SMILESO=C1CN(CCc2cccc(F)c2)CC(=O)N1
InChIInChI=1S/C12H13FN2O2/c13-10-3-1-2-9(6-10)4-5-15-7-11(16)14-12(17)8-15/h1-3,6H,4-5,7-8H2,(H,14,16,17)
InChIKeyQYDNIVKSWDDPKQ-UHFFFAOYSA-N
XLogP0.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione
CID 64961037
3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64960886
2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787422
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione
CID 63788370
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083375
7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946884
1-[2-(3-fluorophenyl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
CID 95471751
1-[2-(3-fluorophenyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64961025
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine
CID 167760406
1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine
CID 43566257
1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 54972964

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione (CID 63789963) is 4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione is O=C1CN(CCc2cccc(F)c2)CC(=O)N1.
What is the InChIKey of 4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione?
The InChIKey is QYDNIVKSWDDPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-10-3-1-2-9(6-10)4-5-15-7-11(16)14-12(17)8-15/h1-3,6H,4-5,7-8H2,(H,14,16,17).
What are the key properties of 4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione?
4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione has a molecular weight of 236.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione is sourced from PubChem (CID 63789963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).