[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone

C15H16N4O3S — CID 167963667

IUPAC[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cnc(-c2scc3c2OCCO3)cn1)N1CCNCC1
InChIInChI=1S/C15H16N4O3S/c20-15(19-3-1-16-2-4-19)11-8-17-10(7-18-11)14-13-12(9-23-14)21-5-6-22-13/h7-9,16H,1-6H2
InChIKeyKCHJMBIOBCWKKV-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.02
Rot. Bonds2

About [5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone

[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone (PubChem CID 167963667) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is [5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone
PubChem CID167963667
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cnc(-c2scc3c2OCCO3)cn1)N1CCNCC1
InChIInChI=1S/C15H16N4O3S/c20-15(19-3-1-16-2-4-19)11-8-17-10(7-18-11)14-13-12(9-23-14)21-5-6-22-13/h7-9,16H,1-6H2
InChIKeyKCHJMBIOBCWKKV-UHFFFAOYSA-N
XLogP1.02
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone (CID 167963667) is [5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone is O=C(c1cnc(-c2scc3c2OCCO3)cn1)N1CCNCC1.
What is the InChIKey of [5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is KCHJMBIOBCWKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-15(19-3-1-16-2-4-19)11-8-17-10(7-18-11)14-13-12(9-23-14)21-5-6-22-13/h7-9,16H,1-6H2.
What are the key properties of [5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone?
[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 332.39 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 167963667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).