(E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one

C14H19N3O3 — CID 91628176

IUPAC(E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one
SMILESC/C=C/C(=O)N1CCCC(Oc2cncc(OC)n2)C1
InChIInChI=1S/C14H19N3O3/c1-3-5-14(18)17-7-4-6-11(10-17)20-13-9-15-8-12(16-13)19-2/h3,5,8-9,11H,4,6-7,10H2,1-2H3/b5-3+
InChIKeyDQOBRTGAPISKQV-HWKANZROSA-N
MW277.32 g/mol
LogP1.43
Rot. Bonds4

About (E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one

(E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one (PubChem CID 91628176) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one
PubChem CID91628176
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one
SMILESC/C=C/C(=O)N1CCCC(Oc2cncc(OC)n2)C1
InChIInChI=1S/C14H19N3O3/c1-3-5-14(18)17-7-4-6-11(10-17)20-13-9-15-8-12(16-13)19-2/h3,5,8-9,11H,4,6-7,10H2,1-2H3/b5-3+
InChIKeyDQOBRTGAPISKQV-HWKANZROSA-N
XLogP1.43
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one with MolForge

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Related Compounds

[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 100657258
1-(3-pyridin-4-yloxypiperidin-1-yl)but-2-en-1-one
CID 171137326
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 91628219
(E)-3-(furan-2-yl)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]prop-2-en-1-one
CID 91627002
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]methanone
CID 100656424
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
CID 100656722
(E)-1-[3-(6-methoxypyridazin-3-yl)oxypiperidin-1-yl]-3-phenylprop-2-en-1-one
CID 117054743
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 91628208
2-cyclohexyl-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 100613496
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]ethanone
CID 100656616

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one?
The IUPAC name of (E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one (CID 91628176) is (E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one.
What is the SMILES notation for (E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one?
The canonical SMILES for (E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one is C/C=C/C(=O)N1CCCC(Oc2cncc(OC)n2)C1.
What is the InChIKey of (E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one?
The InChIKey is DQOBRTGAPISKQV-HWKANZROSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-5-14(18)17-7-4-6-11(10-17)20-13-9-15-8-12(16-13)19-2/h3,5,8-9,11H,4,6-7,10H2,1-2H3/b5-3+.
What are the key properties of (E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one?
(E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one has a molecular weight of 277.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one is sourced from PubChem (CID 91628176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).