(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C17H20N4O — CID 42023215

IUPAC(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3cnccn3)CC2)c1C
InChIInChI=1S/C17H20N4O/c1-13-4-3-5-15(14(13)2)17(22)21-10-8-20(9-11-21)16-12-18-6-7-19-16/h3-7,12H,8-11H2,1-2H3
InChIKeyDTAWTBWAWYKYLR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.06
Rot. Bonds2

About (2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42023215) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42023215
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3cnccn3)CC2)c1C
InChIInChI=1S/C17H20N4O/c1-13-4-3-5-15(14(13)2)17(22)21-10-8-20(9-11-21)16-12-18-6-7-19-16/h3-7,12H,8-11H2,1-2H3
InChIKeyDTAWTBWAWYKYLR-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
[8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 46995479
2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 32647513
(2,6-dimethylquinolin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024395
[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 122559443
(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18145987
(2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856697

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42023215) is (2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is Cc1cccc(C(=O)N2CCN(c3cnccn3)CC2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DTAWTBWAWYKYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-4-3-5-15(14(13)2)17(22)21-10-8-20(9-11-21)16-12-18-6-7-19-16/h3-7,12H,8-11H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42023215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).