1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one

C16H18F2N4O2 — CID 10065573

IUPAC1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one
SMILESO=c1c(N2CCNCC2)nccn1CCOc1ccc(F)cc1F
InChIInChI=1S/C16H18F2N4O2/c17-12-1-2-14(13(18)11-12)24-10-9-22-8-5-20-15(16(22)23)21-6-3-19-4-7-21/h1-2,5,8,11,19H,3-4,6-7,9-10H2
InChIKeyDZKARFXILDWIQB-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.01
Rot. Bonds5

About 1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one

1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one (PubChem CID 10065573) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one
PubChem CID10065573
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one
SMILESO=c1c(N2CCNCC2)nccn1CCOc1ccc(F)cc1F
InChIInChI=1S/C16H18F2N4O2/c17-12-1-2-14(13(18)11-12)24-10-9-22-8-5-20-15(16(22)23)21-6-3-19-4-7-21/h1-2,5,8,11,19H,3-4,6-7,9-10H2
InChIKeyDZKARFXILDWIQB-UHFFFAOYSA-N
XLogP1.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one?
The IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one (CID 10065573) is 1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one.
What is the SMILES notation for 1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one?
The canonical SMILES for 1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one is O=c1c(N2CCNCC2)nccn1CCOc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one?
The InChIKey is DZKARFXILDWIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c17-12-1-2-14(13(18)11-12)24-10-9-22-8-5-20-15(16(22)23)21-6-3-19-4-7-21/h1-2,5,8,11,19H,3-4,6-7,9-10H2.
What are the key properties of 1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one?
1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one has a molecular weight of 336.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one is sourced from PubChem (CID 10065573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).