2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one

C17H20N4O3 — CID 77082199

IUPAC2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one
SMILESCc1cnc(C)c(N2CCN(C(=O)c3cc(=O)cc(C)o3)CC2)n1
InChIInChI=1S/C17H20N4O3/c1-11-10-18-13(3)16(19-11)20-4-6-21(7-5-20)17(23)15-9-14(22)8-12(2)24-15/h8-10H,4-7H2,1-3H3
InChIKeySAIQNNFFPSDAPV-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.32
Rot. Bonds2

About 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one

2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one (PubChem CID 77082199) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one
PubChem CID77082199
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one
SMILESCc1cnc(C)c(N2CCN(C(=O)c3cc(=O)cc(C)o3)CC2)n1
InChIInChI=1S/C17H20N4O3/c1-11-10-18-13(3)16(19-11)20-4-6-21(7-5-20)17(23)15-9-14(22)8-12(2)24-15/h8-10H,4-7H2,1-3H3
InChIKeySAIQNNFFPSDAPV-UHFFFAOYSA-N
XLogP1.32
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 156585711
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 138808982
(2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133469270
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135885511
2-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-6-methylpyran-4-one
CID 163315017
[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 90647890
2-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-6-methylpyran-4-one
CID 118780734
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 133360859
1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 70720048
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 131960468
(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124752724

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one?
The IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one (CID 77082199) is 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one is Cc1cnc(C)c(N2CCN(C(=O)c3cc(=O)cc(C)o3)CC2)n1.
What is the InChIKey of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one?
The InChIKey is SAIQNNFFPSDAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-10-18-13(3)16(19-11)20-4-6-21(7-5-20)17(23)15-9-14(22)8-12(2)24-15/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one?
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one has a molecular weight of 328.37 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one is sourced from PubChem (CID 77082199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).