2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine

C23H22N4O2 — CID 6482923

IUPAC2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
SMILESCOc1ccc(N2CCN(c3cnccn3)C(c3cc4ccccc4o3)C2)cc1
InChIInChI=1S/C23H22N4O2/c1-28-19-8-6-18(7-9-19)26-12-13-27(23-15-24-10-11-25-23)20(16-26)22-14-17-4-2-3-5-21(17)29-22/h2-11,14-15,20H,12-13,16H2,1H3
InChIKeyPHCNDJABKAGHNR-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.30
Rot. Bonds4

About 2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine

2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine (PubChem CID 6482923) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
PubChem CID6482923
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
SMILESCOc1ccc(N2CCN(c3cnccn3)C(c3cc4ccccc4o3)C2)cc1
InChIInChI=1S/C23H22N4O2/c1-28-19-8-6-18(7-9-19)26-12-13-27(23-15-24-10-11-25-23)20(16-26)22-14-17-4-2-3-5-21(17)29-22/h2-11,14-15,20H,12-13,16H2,1H3
InChIKeyPHCNDJABKAGHNR-UHFFFAOYSA-N
XLogP4.30
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine (CID 6482923) is 2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine is COc1ccc(N2CCN(c3cnccn3)C(c3cc4ccccc4o3)C2)cc1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine?
The InChIKey is PHCNDJABKAGHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-28-19-8-6-18(7-9-19)26-12-13-27(23-15-24-10-11-25-23)20(16-26)22-14-17-4-2-3-5-21(17)29-22/h2-11,14-15,20H,12-13,16H2,1H3.
What are the key properties of 2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine?
2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine has a molecular weight of 386.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)-4-(4-methoxyphenyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 6482923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).