3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one

C15H23N5O — CID 11529397

IUPAC3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one
SMILESCN1CCN(c2nccnc2CC2CCCNC2=O)CC1
InChIInChI=1S/C15H23N5O/c1-19-7-9-20(10-8-19)14-13(16-5-6-17-14)11-12-3-2-4-18-15(12)21/h5-6,12H,2-4,7-11H2,1H3,(H,18,21)
InChIKeyQJZDMAODXOHKKL-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.30
Rot. Bonds3

About 3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one

3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one (PubChem CID 11529397) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one
PubChem CID11529397
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one
SMILESCN1CCN(c2nccnc2CC2CCCNC2=O)CC1
InChIInChI=1S/C15H23N5O/c1-19-7-9-20(10-8-19)14-13(16-5-6-17-14)11-12-3-2-4-18-15(12)21/h5-6,12H,2-4,7-11H2,1H3,(H,18,21)
InChIKeyQJZDMAODXOHKKL-UHFFFAOYSA-N
XLogP0.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one?
The IUPAC name of 3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one (CID 11529397) is 3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one.
What is the SMILES notation for 3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one?
The canonical SMILES for 3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one is CN1CCN(c2nccnc2CC2CCCNC2=O)CC1.
What is the InChIKey of 3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one?
The InChIKey is QJZDMAODXOHKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-19-7-9-20(10-8-19)14-13(16-5-6-17-14)11-12-3-2-4-18-15(12)21/h5-6,12H,2-4,7-11H2,1H3,(H,18,21).
What are the key properties of 3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one?
3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one has a molecular weight of 289.38 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one is sourced from PubChem (CID 11529397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).