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

C24H26N4O5 — CID 51364889

IUPAC1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
SMILESCOc1ccc(N2CCN(C(=O)Cn3ccn(-c4ccccc4OC)c(=O)c3=O)CC2)cc1
InChIInChI=1S/C24H26N4O5/c1-32-19-9-7-18(8-10-19)25-11-13-26(14-12-25)22(29)17-27-15-16-28(24(31)23(27)30)20-5-3-4-6-21(20)33-2/h3-10,15-16H,11-14,17H2,1-2H3
InChIKeyGYQOAESSVHQEEQ-UHFFFAOYSA-N
MW450.50 g/mol
LogP1.37
Rot. Bonds6

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

1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione (PubChem CID 51364889) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
PubChem CID51364889
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
SMILESCOc1ccc(N2CCN(C(=O)Cn3ccn(-c4ccccc4OC)c(=O)c3=O)CC2)cc1
InChIInChI=1S/C24H26N4O5/c1-32-19-9-7-18(8-10-19)25-11-13-26(14-12-25)22(29)17-27-15-16-28(24(31)23(27)30)20-5-3-4-6-21(20)33-2/h3-10,15-16H,11-14,17H2,1-2H3
InChIKeyGYQOAESSVHQEEQ-UHFFFAOYSA-N
XLogP1.37
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
CID 50928882
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one
CID 50839654
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
CID 5015961
2-[(4-methoxyphenyl)methylidene]-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 5146102
N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928796
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 4692271
3-(2,6-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 100789580
2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 39334214
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione?
The IUPAC name of 1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione (CID 51364889) is 1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione is COc1ccc(N2CCN(C(=O)Cn3ccn(-c4ccccc4OC)c(=O)c3=O)CC2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione?
The InChIKey is GYQOAESSVHQEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-32-19-9-7-18(8-10-19)25-11-13-26(14-12-25)22(29)17-27-15-16-28(24(31)23(27)30)20-5-3-4-6-21(20)33-2/h3-10,15-16H,11-14,17H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione?
1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione has a molecular weight of 450.50 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione is sourced from PubChem (CID 51364889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).