[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate

C18H20N4O4 — CID 7663895

IUPAC[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCOc1ccc(N2CCN(C(=O)COC(=O)c3cnccn3)CC2)cc1
InChIInChI=1S/C18H20N4O4/c1-25-15-4-2-14(3-5-15)21-8-10-22(11-9-21)17(23)13-26-18(24)16-12-19-6-7-20-16/h2-7,12H,8-11,13H2,1H3
InChIKeyIMONYCZYBCWFTN-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.99
Rot. Bonds5

About [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate

[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 7663895) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID7663895
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCOc1ccc(N2CCN(C(=O)COC(=O)c3cnccn3)CC2)cc1
InChIInChI=1S/C18H20N4O4/c1-25-15-4-2-14(3-5-15)21-8-10-22(11-9-21)17(23)13-26-18(24)16-12-19-6-7-20-16/h2-7,12H,8-11,13H2,1H3
InChIKeyIMONYCZYBCWFTN-UHFFFAOYSA-N
XLogP0.99
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate (CID 7663895) is [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate is COc1ccc(N2CCN(C(=O)COC(=O)c3cnccn3)CC2)cc1.
What is the InChIKey of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is IMONYCZYBCWFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-25-15-4-2-14(3-5-15)21-8-10-22(11-9-21)17(23)13-26-18(24)16-12-19-6-7-20-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 7663895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).