[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C16H19N5O3 — CID 91628219

IUPAC[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCOc1cncc(OC2CCCN(C(=O)c3cnc(C)cn3)C2)n1
InChIInChI=1S/C16H19N5O3/c1-11-6-19-13(7-18-11)16(22)21-5-3-4-12(10-21)24-15-9-17-8-14(20-15)23-2/h6-9,12H,3-5,10H2,1-2H3
InChIKeyMLEWPBWTXOMCGQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.27
Rot. Bonds4

About [3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 91628219) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is [3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID91628219
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCOc1cncc(OC2CCCN(C(=O)c3cnc(C)cn3)C2)n1
InChIInChI=1S/C16H19N5O3/c1-11-6-19-13(7-18-11)16(22)21-5-3-4-12(10-21)24-15-9-17-8-14(20-15)23-2/h6-9,12H,3-5,10H2,1-2H3
InChIKeyMLEWPBWTXOMCGQ-UHFFFAOYSA-N
XLogP1.27
TPSA90.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]methanone
CID 100656424
[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 100657258
(E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one
CID 91628176
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 91628208
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 90637330
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306
1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
CID 100656722

Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 91628219) is [3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is COc1cncc(OC2CCCN(C(=O)c3cnc(C)cn3)C2)n1.
What is the InChIKey of [3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is MLEWPBWTXOMCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11-6-19-13(7-18-11)16(22)21-5-3-4-12(10-21)24-15-9-17-8-14(20-15)23-2/h6-9,12H,3-5,10H2,1-2H3.
What are the key properties of [3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 329.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 91628219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).