1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione

C24H25FN4O4 — CID 50928882

IUPAC1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
SMILESCCOc1ccccc1-n1ccn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c1=O
InChIInChI=1S/C24H25FN4O4/c1-2-33-21-10-6-5-9-20(21)29-16-15-28(23(31)24(29)32)17-22(30)27-13-11-26(12-14-27)19-8-4-3-7-18(19)25/h3-10,15-16H,2,11-14,17H2,1H3
InChIKeyARDJZNFEQQVQGO-UHFFFAOYSA-N
MW452.49 g/mol
LogP1.89
Rot. Bonds6

About 1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione

1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione (PubChem CID 50928882) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
PubChem CID50928882
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
SMILESCCOc1ccccc1-n1ccn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c1=O
InChIInChI=1S/C24H25FN4O4/c1-2-33-21-10-6-5-9-20(21)29-16-15-28(23(31)24(29)32)17-22(30)27-13-11-26(12-14-27)19-8-4-3-7-18(19)25/h3-10,15-16H,2,11-14,17H2,1H3
InChIKeyARDJZNFEQQVQGO-UHFFFAOYSA-N
XLogP1.89
TPSA76.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
CID 51364891
1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565239
1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
CID 51364889
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 25343856
N-butyl-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917475
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928850
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27006126
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylpyrimidin-2-one
CID 132971329
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 50928860
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 9415450

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione (CID 50928882) is 1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione is CCOc1ccccc1-n1ccn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione?
The InChIKey is ARDJZNFEQQVQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-2-33-21-10-6-5-9-20(21)29-16-15-28(23(31)24(29)32)17-22(30)27-13-11-26(12-14-27)19-8-4-3-7-18(19)25/h3-10,15-16H,2,11-14,17H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione?
1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione has a molecular weight of 452.49 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione is sourced from PubChem (CID 50928882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).