[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone

C18H22N4O — CID 2712772

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cn1
InChIInChI=1S/C18H22N4O/c1-13-5-4-6-17(15(13)3)21-7-9-22(10-8-21)18(23)16-12-19-14(2)11-20-16/h4-6,11-12H,7-10H2,1-3H3
InChIKeyYUSIDBJQOGNNBM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.36
Rot. Bonds2

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 2712772) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID2712772
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cn1
InChIInChI=1S/C18H22N4O/c1-13-5-4-6-17(15(13)3)21-7-9-22(10-8-21)18(23)16-12-19-14(2)11-20-16/h4-6,11-12H,7-10H2,1-3H3
InChIKeyYUSIDBJQOGNNBM-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273559
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275056
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
CID 155798999
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110678435
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51174933
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 110854409
(5,6-dichloro-3-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102498
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334455

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 2712772) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cn1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is YUSIDBJQOGNNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-5-4-6-17(15(13)3)21-7-9-22(10-8-21)18(23)16-12-19-14(2)11-20-16/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 2712772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).