2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine

C26H26N4O2 — CID 6482650

IUPAC2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
SMILESCOc1ccc(N2CCN(c3cncc(-c4ccc5ccccc5c4)n3)CC2)cc1OC
InChIInChI=1S/C26H26N4O2/c1-31-24-10-9-22(16-25(24)32-2)29-11-13-30(14-12-29)26-18-27-17-23(28-26)21-8-7-19-5-3-4-6-20(19)15-21/h3-10,15-18H,11-14H2,1-2H3
InChIKeyHDJLLJYOASWFDG-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.64
Rot. Bonds5

About 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine

2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine (PubChem CID 6482650) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
PubChem CID6482650
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
SMILESCOc1ccc(N2CCN(c3cncc(-c4ccc5ccccc5c4)n3)CC2)cc1OC
InChIInChI=1S/C26H26N4O2/c1-31-24-10-9-22(16-25(24)32-2)29-11-13-30(14-12-29)26-18-27-17-23(28-26)21-8-7-19-5-3-4-6-20(19)15-21/h3-10,15-18H,11-14H2,1-2H3
InChIKeyHDJLLJYOASWFDG-UHFFFAOYSA-N
XLogP4.64
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine (CID 6482650) is 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine is COc1ccc(N2CCN(c3cncc(-c4ccc5ccccc5c4)n3)CC2)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine?
The InChIKey is HDJLLJYOASWFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-31-24-10-9-22(16-25(24)32-2)29-11-13-30(14-12-29)26-18-27-17-23(28-26)21-8-7-19-5-3-4-6-20(19)15-21/h3-10,15-18H,11-14H2,1-2H3.
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine?
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine has a molecular weight of 426.52 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine is sourced from PubChem (CID 6482650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).