2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone

C18H28N4O — CID 133469558

IUPAC2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone
SMILESCc1cnc(C)c(N2CCN(C(=O)CC3CCCCC3)CC2)n1
InChIInChI=1S/C18H28N4O/c1-14-13-19-15(2)18(20-14)22-10-8-21(9-11-22)17(23)12-16-6-4-3-5-7-16/h13,16H,3-12H2,1-2H3
InChIKeyIHWHMUPOILHYIX-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.71
Rot. Bonds3

About 2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone (PubChem CID 133469558) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone
PubChem CID133469558
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone
SMILESCc1cnc(C)c(N2CCN(C(=O)CC3CCCCC3)CC2)n1
InChIInChI=1S/C18H28N4O/c1-14-13-19-15(2)18(20-14)22-10-8-21(9-11-22)17(23)12-16-6-4-3-5-7-16/h13,16H,3-12H2,1-2H3
InChIKeyIHWHMUPOILHYIX-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone (CID 133469558) is 2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone is Cc1cnc(C)c(N2CCN(C(=O)CC3CCCCC3)CC2)n1.
What is the InChIKey of 2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is IHWHMUPOILHYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-13-19-15(2)18(20-14)22-10-8-21(9-11-22)17(23)12-16-6-4-3-5-7-16/h13,16H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 316.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 133469558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).