2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine

C14H18N4O2S — CID 22036428

IUPAC2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine
SMILESc1cnc(N2CCNCC2)c(OCCOc2ccsc2)n1
InChIInChI=1S/C14H18N4O2S/c1-10-21-11-12(1)19-8-9-20-14-13(16-2-3-17-14)18-6-4-15-5-7-18/h1-3,10-11,15H,4-9H2
InChIKeyMUDRGLANMKSLAS-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.41
Rot. Bonds6

About 2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine

2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine (PubChem CID 22036428) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine.

Molecular Properties

Compound Name2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine
PubChem CID22036428
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine
SMILESc1cnc(N2CCNCC2)c(OCCOc2ccsc2)n1
InChIInChI=1S/C14H18N4O2S/c1-10-21-11-12(1)19-8-9-20-14-13(16-2-3-17-14)18-6-4-15-5-7-18/h1-3,10-11,15H,4-9H2
InChIKeyMUDRGLANMKSLAS-UHFFFAOYSA-N
XLogP1.41
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine?
The IUPAC name of 2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine (CID 22036428) is 2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine.
What is the SMILES notation for 2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine?
The canonical SMILES for 2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine is c1cnc(N2CCNCC2)c(OCCOc2ccsc2)n1.
What is the InChIKey of 2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine?
The InChIKey is MUDRGLANMKSLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-21-11-12(1)19-8-9-20-14-13(16-2-3-17-14)18-6-4-15-5-7-18/h1-3,10-11,15H,4-9H2.
What are the key properties of 2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine?
2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine has a molecular weight of 306.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine is sourced from PubChem (CID 22036428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).