2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine

C19H20N4OS — CID 6482732

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine
SMILESCOc1ccccc1N1CCN(c2cncc(-c3ccsc3)n2)CC1
InChIInChI=1S/C19H20N4OS/c1-24-18-5-3-2-4-17(18)22-7-9-23(10-8-22)19-13-20-12-16(21-19)15-6-11-25-14-15/h2-6,11-14H,7-10H2,1H3
InChIKeyPFLLKVYDCVKSCL-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.54
Rot. Bonds4

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine

2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine (PubChem CID 6482732) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine
PubChem CID6482732
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine
SMILESCOc1ccccc1N1CCN(c2cncc(-c3ccsc3)n2)CC1
InChIInChI=1S/C19H20N4OS/c1-24-18-5-3-2-4-17(18)22-7-9-23(10-8-22)19-13-20-12-16(21-19)15-6-11-25-14-15/h2-6,11-14H,7-10H2,1H3
InChIKeyPFLLKVYDCVKSCL-UHFFFAOYSA-N
XLogP3.54
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine (CID 6482732) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine is COc1ccccc1N1CCN(c2cncc(-c3ccsc3)n2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine?
The InChIKey is PFLLKVYDCVKSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-24-18-5-3-2-4-17(18)22-7-9-23(10-8-22)19-13-20-12-16(21-19)15-6-11-25-14-15/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine has a molecular weight of 352.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine is sourced from PubChem (CID 6482732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).