4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione

C12H11FN2O4 — CID 66085710

IUPAC4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione
SMILESCOc1cccc(F)c1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H11FN2O4/c1-19-8-4-2-3-7(13)11(8)12(18)15-5-9(16)14-10(17)6-15/h2-4H,5-6H2,1H3,(H,14,16,17)
InChIKeyVDDDPKWUTLOZBE-UHFFFAOYSA-N
MW266.23 g/mol
LogP-0.07
Rot. Bonds2

About 4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione

4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione (PubChem CID 66085710) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione
PubChem CID66085710
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione
SMILESCOc1cccc(F)c1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H11FN2O4/c1-19-8-4-2-3-7(13)11(8)12(18)15-5-9(16)14-10(17)6-15/h2-4H,5-6H2,1H3,(H,14,16,17)
InChIKeyVDDDPKWUTLOZBE-UHFFFAOYSA-N
XLogP-0.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 5-0.07
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

4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione
CID 66083390
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 131889781
(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80662755
1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243
2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid
CID 65434176
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 81483168
4-(3-amino-2,6-difluorobenzoyl)piperazine-2,6-dione
CID 79772834
[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119934296
(3-aminopyrrolidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119482707
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione
CID 66083020
[4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65435015

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione (CID 66085710) is 4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione is COc1cccc(F)c1C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione?
The InChIKey is VDDDPKWUTLOZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c1-19-8-4-2-3-7(13)11(8)12(18)15-5-9(16)14-10(17)6-15/h2-4H,5-6H2,1H3,(H,14,16,17).
What are the key properties of 4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione?
4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione has a molecular weight of 266.23 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 66085710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).