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

C17H26N4O2 — CID 119065561

IUPAC1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
SMILESCc1cnc(C)c(N2CCN(C(=O)CC3CCCOC3)CC2)n1
InChIInChI=1S/C17H26N4O2/c1-13-11-18-14(2)17(19-13)21-7-5-20(6-8-21)16(22)10-15-4-3-9-23-12-15/h11,15H,3-10,12H2,1-2H3
InChIKeyXXCYPJFLONLYPM-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.56
Rot. Bonds3

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

1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone (PubChem CID 119065561) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
PubChem CID119065561
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
SMILESCc1cnc(C)c(N2CCN(C(=O)CC3CCCOC3)CC2)n1
InChIInChI=1S/C17H26N4O2/c1-13-11-18-14(2)17(19-13)21-7-5-20(6-8-21)16(22)10-15-4-3-9-23-12-15/h11,15H,3-10,12H2,1-2H3
InChIKeyXXCYPJFLONLYPM-UHFFFAOYSA-N
XLogP1.56
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone?
The IUPAC name of 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone (CID 119065561) is 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone.
What is the SMILES notation for 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone?
The canonical SMILES for 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone is Cc1cnc(C)c(N2CCN(C(=O)CC3CCCOC3)CC2)n1.
What is the InChIKey of 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone?
The InChIKey is XXCYPJFLONLYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-11-18-14(2)17(19-13)21-7-5-20(6-8-21)16(22)10-15-4-3-9-23-12-15/h11,15H,3-10,12H2,1-2H3.
What are the key properties of 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone?
1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone has a molecular weight of 318.42 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(oxan-3-yl)ethanone is sourced from PubChem (CID 119065561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).