methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate

C18H20N4O3 — CID 51103844

IUPACmethyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(=O)c3cnccn3)C(C)C2)cc1
InChIInChI=1S/C18H20N4O3/c1-13-12-21(15-5-3-14(4-6-15)18(24)25-2)9-10-22(13)17(23)16-11-19-7-8-20-16/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyINPWQERAFREPQS-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.61
Rot. Bonds3

About methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate

methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate (PubChem CID 51103844) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate
PubChem CID51103844
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Namemethyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(=O)c3cnccn3)C(C)C2)cc1
InChIInChI=1S/C18H20N4O3/c1-13-12-21(15-5-3-14(4-6-15)18(24)25-2)9-10-22(13)17(23)16-11-19-7-8-20-16/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyINPWQERAFREPQS-UHFFFAOYSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate?
The IUPAC name of methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate (CID 51103844) is methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate?
The canonical SMILES for methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate is COC(=O)c1ccc(N2CCN(C(=O)c3cnccn3)C(C)C2)cc1.
What is the InChIKey of methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate?
The InChIKey is INPWQERAFREPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-12-21(15-5-3-14(4-6-15)18(24)25-2)9-10-22(13)17(23)16-11-19-7-8-20-16/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate?
methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate has a molecular weight of 340.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-methyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]benzoate is sourced from PubChem (CID 51103844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).