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

C25H28N4O5 — CID 51364891

IUPAC1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
SMILESCCOc1ccccc1-n1ccn(CC(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c1=O
InChIInChI=1S/C25H28N4O5/c1-3-34-22-11-7-5-9-20(22)29-17-16-28(24(31)25(29)32)18-23(30)27-14-12-26(13-15-27)19-8-4-6-10-21(19)33-2/h4-11,16-17H,3,12-15,18H2,1-2H3
InChIKeyMARUXPJDYJGMHH-UHFFFAOYSA-N
MW464.52 g/mol
LogP1.76
Rot. Bonds7

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

1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione (PubChem CID 51364891) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
PubChem CID51364891
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
SMILESCCOc1ccccc1-n1ccn(CC(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c1=O
InChIInChI=1S/C25H28N4O5/c1-3-34-22-11-7-5-9-20(22)29-17-16-28(24(31)25(29)32)18-23(30)27-14-12-26(13-15-27)19-8-4-6-10-21(19)33-2/h4-11,16-17H,3,12-15,18H2,1-2H3
InChIKeyMARUXPJDYJGMHH-UHFFFAOYSA-N
XLogP1.76
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
CID 50928882
1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
CID 51364889
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565239
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
N-(5-chloro-2-methoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928900
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
N-butyl-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917475
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 9415450
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928850
N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide
CID 87050342

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione (CID 51364891) is 1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione is CCOc1ccccc1-n1ccn(CC(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione?
The InChIKey is MARUXPJDYJGMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-3-34-22-11-7-5-9-20(22)29-17-16-28(24(31)25(29)32)18-23(30)27-14-12-26(13-15-27)19-8-4-6-10-21(19)33-2/h4-11,16-17H,3,12-15,18H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione?
1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione has a molecular weight of 464.52 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione is sourced from PubChem (CID 51364891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).