1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one

C13H20N4O — CID 131894861

IUPAC1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one
SMILESCc1cnc(C)c(NCCN2CCCCC2=O)n1
InChIInChI=1S/C13H20N4O/c1-10-9-15-11(2)13(16-10)14-6-8-17-7-4-3-5-12(17)18/h9H,3-8H2,1-2H3,(H,14,16)
InChIKeyKMNYRLIDSCEHJR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds4

About 1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one

1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one (PubChem CID 131894861) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one
PubChem CID131894861
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one
SMILESCc1cnc(C)c(NCCN2CCCCC2=O)n1
InChIInChI=1S/C13H20N4O/c1-10-9-15-11(2)13(16-10)14-6-8-17-7-4-3-5-12(17)18/h9H,3-8H2,1-2H3,(H,14,16)
InChIKeyKMNYRLIDSCEHJR-UHFFFAOYSA-N
XLogP1.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazin-2-amine
CID 65416240
1-[3-[[3-[3-(2-oxoazepan-1-yl)propylamino]pyrazin-2-yl]amino]propyl]azepan-2-one
CID 166204581
1-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]propyl]piperidin-2-one
CID 155269816
1-[2-(tert-butylamino)ethyl]azepan-2-one
CID 61387620
1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one
CID 131940721
1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one
CID 131945132
1-[2-(ethylamino)ethyl]piperidin-2-one
CID 61387338
1-[2-(ethylamino)ethyl]azocan-2-one
CID 61386984
1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one
CID 131907640
1-[3-[[5-methyl-2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 21080354
3,6-dimethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazin-2-amine
CID 154771003
1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one
CID 45228116

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one (CID 131894861) is 1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one is Cc1cnc(C)c(NCCN2CCCCC2=O)n1.
What is the InChIKey of 1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one?
The InChIKey is KMNYRLIDSCEHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-9-15-11(2)13(16-10)14-6-8-17-7-4-3-5-12(17)18/h9H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one?
1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one is sourced from PubChem (CID 131894861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).