1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

C16H22N6O2 — CID 110119236

IUPAC1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCNc1nccnc1CC1CCCN(C(=O)Cc2nonc2C)C1
InChIInChI=1S/C16H22N6O2/c1-11-13(21-24-20-11)9-15(23)22-7-3-4-12(10-22)8-14-16(17-2)19-6-5-18-14/h5-6,12H,3-4,7-10H2,1-2H3,(H,17,19)
InChIKeyJQYZBGFPFVDXQL-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.23
Rot. Bonds5

About 1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (PubChem CID 110119236) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
PubChem CID110119236
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCNc1nccnc1CC1CCCN(C(=O)Cc2nonc2C)C1
InChIInChI=1S/C16H22N6O2/c1-11-13(21-24-20-11)9-15(23)22-7-3-4-12(10-22)8-14-16(17-2)19-6-5-18-14/h5-6,12H,3-4,7-10H2,1-2H3,(H,17,19)
InChIKeyJQYZBGFPFVDXQL-UHFFFAOYSA-N
XLogP1.23
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 110113301
2-(2-fluorophenyl)-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125003518
2-(2-methoxyphenyl)-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110113252
2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124964415
[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 110113209
1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124991653
1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 125012361
(4,4-difluorocyclohexyl)-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110113321
1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 125002794
1-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 125002793
[4-(methoxymethyl)phenyl]-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124949764
1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 125021173

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (CID 110119236) is 1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is CNc1nccnc1CC1CCCN(C(=O)Cc2nonc2C)C1.
What is the InChIKey of 1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The InChIKey is JQYZBGFPFVDXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11-13(21-24-20-11)9-15(23)22-7-3-4-12(10-22)8-14-16(17-2)19-6-5-18-14/h5-6,12H,3-4,7-10H2,1-2H3,(H,17,19).
What are the key properties of 1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone has a molecular weight of 330.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 110119236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).