4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one

C18H20N4O2 — CID 118772464

IUPAC4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one
SMILESCc1cnc(C)c(-c2cccc(C(=O)N3CCNC(=O)C3C)c2)n1
InChIInChI=1S/C18H20N4O2/c1-11-10-20-12(2)16(21-11)14-5-4-6-15(9-14)18(24)22-8-7-19-17(23)13(22)3/h4-6,9-10,13H,7-8H2,1-3H3,(H,19,23)
InChIKeyAVDLUHWDKKOUPG-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.72
Rot. Bonds2

About 4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one

4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one (PubChem CID 118772464) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one
PubChem CID118772464
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one
SMILESCc1cnc(C)c(-c2cccc(C(=O)N3CCNC(=O)C3C)c2)n1
InChIInChI=1S/C18H20N4O2/c1-11-10-20-12(2)16(21-11)14-5-4-6-15(9-14)18(24)22-8-7-19-17(23)13(22)3/h4-6,9-10,13H,7-8H2,1-3H3,(H,19,23)
InChIKeyAVDLUHWDKKOUPG-UHFFFAOYSA-N
XLogP1.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one (CID 118772464) is 4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one is Cc1cnc(C)c(-c2cccc(C(=O)N3CCNC(=O)C3C)c2)n1.
What is the InChIKey of 4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one?
The InChIKey is AVDLUHWDKKOUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-10-20-12(2)16(21-11)14-5-4-6-15(9-14)18(24)22-8-7-19-17(23)13(22)3/h4-6,9-10,13H,7-8H2,1-3H3,(H,19,23).
What are the key properties of 4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one?
4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one has a molecular weight of 324.38 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 118772464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).