1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone

C17H20N4O3 — CID 100656722

IUPAC1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCOc1cncc(O[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)n1
InChIInChI=1S/C17H20N4O3/c1-23-15-10-19-11-16(20-15)24-14-5-3-7-21(12-14)17(22)8-13-4-2-6-18-9-13/h2,4,6,9-11,14H,3,5,7-8,12H2,1H3/t14-/m1/s1
InChIKeyBQZYUWZKAFLCRV-CQSZACIVSA-N
MW328.37 g/mol
LogP1.49
Rot. Bonds5

About 1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone

1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 100656722) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID100656722
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCOc1cncc(O[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)n1
InChIInChI=1S/C17H20N4O3/c1-23-15-10-19-11-16(20-15)24-14-5-3-7-21(12-14)17(22)8-13-4-2-6-18-9-13/h2,4,6,9-11,14H,3,5,7-8,12H2,1H3/t14-/m1/s1
InChIKeyBQZYUWZKAFLCRV-CQSZACIVSA-N
XLogP1.49
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]ethanone
CID 100656616
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
2-benzylsulfanyl-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637393
2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645265
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 91628122
[(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
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637578
2-cyclohexyl-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 100613496
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 91628208

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone (CID 100656722) is 1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone is COc1cncc(O[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)n1.
What is the InChIKey of 1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is BQZYUWZKAFLCRV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-15-10-19-11-16(20-15)24-14-5-3-7-21(12-14)17(22)8-13-4-2-6-18-9-13/h2,4,6,9-11,14H,3,5,7-8,12H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone?
1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 328.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 100656722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).