4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine

C18H23N3O2S — CID 133491539

IUPAC4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine
SMILESc1csc(C2CN(c3cncc(OCC4CCCC4)n3)CCO2)c1
InChIInChI=1S/C18H23N3O2S/c1-2-5-14(4-1)13-23-18-11-19-10-17(20-18)21-7-8-22-15(12-21)16-6-3-9-24-16/h3,6,9-11,14-15H,1-2,4-5,7-8,12-13H2
InChIKeyXMDUQDLABSJNEW-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.68
Rot. Bonds5

About 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine

4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine (PubChem CID 133491539) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine
PubChem CID133491539
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine
SMILESc1csc(C2CN(c3cncc(OCC4CCCC4)n3)CCO2)c1
InChIInChI=1S/C18H23N3O2S/c1-2-5-14(4-1)13-23-18-11-19-10-17(20-18)21-7-8-22-15(12-21)16-6-3-9-24-16/h3,6,9-11,14-15H,1-2,4-5,7-8,12-13H2
InChIKeyXMDUQDLABSJNEW-UHFFFAOYSA-N
XLogP3.68
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-propan-2-yloxypyrazin-2-yl)-2-thiophen-2-ylmorpholine
CID 133491544
4-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]pyrrolidin-3-yl]morpholine
CID 133484389
ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
CID 133363565
4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine
CID 133491268
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine
CID 133363593
4-thieno[2,3-d]pyrimidin-4-yl-2-thiophen-2-ylmorpholine
CID 133363726
2-(cyclopentylmethoxy)-6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrazine
CID 133485061
2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine
CID 133485880
4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine
CID 133363651
2-thiophen-2-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
CID 133420353
1-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-methylpyrrolidin-3-ol
CID 133485388
4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine
CID 133363568

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine?
The IUPAC name of 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine (CID 133491539) is 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine?
The canonical SMILES for 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine is c1csc(C2CN(c3cncc(OCC4CCCC4)n3)CCO2)c1.
What is the InChIKey of 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine?
The InChIKey is XMDUQDLABSJNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-5-14(4-1)13-23-18-11-19-10-17(20-18)21-7-8-22-15(12-21)16-6-3-9-24-16/h3,6,9-11,14-15H,1-2,4-5,7-8,12-13H2.
What are the key properties of 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine?
4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine has a molecular weight of 345.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 133491539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).