4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione

C13H13FN2O4 — CID 66083720

IUPAC4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione
SMILESCC(Oc1cccc(F)c1)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C13H13FN2O4/c1-8(20-10-4-2-3-9(14)5-10)13(19)16-6-11(17)15-12(18)7-16/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChIKeyRPZHJIJXVOEWQH-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.08
Rot. Bonds3

About 4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione

4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione (PubChem CID 66083720) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione
PubChem CID66083720
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione
SMILESCC(Oc1cccc(F)c1)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C13H13FN2O4/c1-8(20-10-4-2-3-9(14)5-10)13(19)16-6-11(17)15-12(18)7-16/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChIKeyRPZHJIJXVOEWQH-UHFFFAOYSA-N
XLogP0.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.08
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

1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
CID 86925844
1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146213
6-[2-(3-fluorophenoxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175614
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86926716
2-(3-fluorophenoxy)propanoyl chloride
CID 139218096
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 120746945
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 125135252
2-(3-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81208010
2-(3-fluorophenoxy)-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060436
N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide
CID 87005926
2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
CID 71977634
2-(3-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119539612

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione (CID 66083720) is 4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione is CC(Oc1cccc(F)c1)C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione?
The InChIKey is RPZHJIJXVOEWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-8(20-10-4-2-3-9(14)5-10)13(19)16-6-11(17)15-12(18)7-16/h2-5,8H,6-7H2,1H3,(H,15,17,18).
What are the key properties of 4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione?
4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione has a molecular weight of 280.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione is sourced from PubChem (CID 66083720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).