methyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate

C19H22N4O3 — CID 51131029

IUPACmethyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(=O)c3cnc(C)cn3)C(C)C2)cc1
InChIInChI=1S/C19H22N4O3/c1-13-10-21-17(11-20-13)18(24)23-9-8-22(12-14(23)2)16-6-4-15(5-7-16)19(25)26-3/h4-7,10-11,14H,8-9,12H2,1-3H3
InChIKeyDOAAMKSUAYZVLW-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.92
Rot. Bonds3

About methyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate

methyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate (PubChem CID 51131029) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate
PubChem CID51131029
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Namemethyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(=O)c3cnc(C)cn3)C(C)C2)cc1
InChIInChI=1S/C19H22N4O3/c1-13-10-21-17(11-20-13)18(24)23-9-8-22(12-14(23)2)16-6-4-15(5-7-16)19(25)26-3/h4-7,10-11,14H,8-9,12H2,1-3H3
InChIKeyDOAAMKSUAYZVLW-UHFFFAOYSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.92
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-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate?
The IUPAC name of methyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate (CID 51131029) is methyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate?
The canonical SMILES for methyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate is COC(=O)c1ccc(N2CCN(C(=O)c3cnc(C)cn3)C(C)C2)cc1.
What is the InChIKey of methyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate?
The InChIKey is DOAAMKSUAYZVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-10-21-17(11-20-13)18(24)23-9-8-22(12-14(23)2)16-6-4-15(5-7-16)19(25)26-3/h4-7,10-11,14H,8-9,12H2,1-3H3.
What are the key properties of methyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate?
methyl 4-[3-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate has a molecular weight of 354.41 g/mol, XLogP of 1.92, 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-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]benzoate is sourced from PubChem (CID 51131029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).