5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one

C19H23BrN4O2 — CID 58180688

IUPAC5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one
SMILESCCN1CCN(C)C(c2ccc(Cc3nc(Br)cn(C)c3=O)cc2)C1=O
InChIInChI=1S/C19H23BrN4O2/c1-4-24-10-9-22(2)17(19(24)26)14-7-5-13(6-8-14)11-15-18(25)23(3)12-16(20)21-15/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyLPQYVHRNWZYGIX-UHFFFAOYSA-N
MW419.32 g/mol
LogP1.97
Rot. Bonds4

About 5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one

5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one (PubChem CID 58180688) has the molecular formula C19H23BrN4O2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one
PubChem CID58180688
Molecular FormulaC19H23BrN4O2
Molecular Weight419.32 g/mol
Exact Mass418.10
IUPAC Name5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one
SMILESCCN1CCN(C)C(c2ccc(Cc3nc(Br)cn(C)c3=O)cc2)C1=O
InChIInChI=1S/C19H23BrN4O2/c1-4-24-10-9-22(2)17(19(24)26)14-7-5-13(6-8-14)11-15-18(25)23(3)12-16(20)21-15/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyLPQYVHRNWZYGIX-UHFFFAOYSA-N
XLogP1.97
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one with MolForge

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Related Compounds

1-Cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione
CID 3384670
1-Cycloheptyl-4-[2-(cyclohex-1-EN-1-YL)ethyl]-3-(4-methylphenyl)piperazine-2,5-dione
CID 5166783
4-Cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione
CID 5195087
1-Cycloheptyl-3-(4-methylphenyl)-4-propan-2-ylpiperazine-2,5-dione
CID 4609646
US10150767, Example 31
CID 137796663
US10150767, Example 32
CID 137796664
US10150767, Example 26
CID 137796682
4-Cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione
CID 3243994
1-Cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione
CID 3523283
1-Cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione
CID 4302043
1-Cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione
CID 4608935
1-Cycloheptyl-4-cyclohexyl-3-(4-methylphenyl)piperazine-2,5-dione
CID 5167023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one?
The IUPAC name of 5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one (CID 58180688) is 5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one.
What is the SMILES notation for 5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one?
The canonical SMILES for 5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one is CCN1CCN(C)C(c2ccc(Cc3nc(Br)cn(C)c3=O)cc2)C1=O.
What is the InChIKey of 5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one?
The InChIKey is LPQYVHRNWZYGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2/c1-4-24-10-9-22(2)17(19(24)26)14-7-5-13(6-8-14)11-15-18(25)23(3)12-16(20)21-15/h5-8,12,17H,4,9-11H2,1-3H3.
What are the key properties of 5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one?
5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one has a molecular weight of 419.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[4-(4-ethyl-1-methyl-3-oxopiperazin-2-yl)phenyl]methyl]-1-methylpyrazin-2-one is sourced from PubChem (CID 58180688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).