2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

C19H23N3O3 — CID 95822508

IUPAC2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nccnc2Oc2cccc(C)c2)CC1
InChIInChI=1S/C19H23N3O3/c1-14-4-3-5-16(12-14)25-19-18(20-8-9-21-19)15-6-10-22(11-7-15)17(23)13-24-2/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3
InChIKeySLKAIGULRHQTSF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.93
Rot. Bonds5

About 2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95822508) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95822508
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nccnc2Oc2cccc(C)c2)CC1
InChIInChI=1S/C19H23N3O3/c1-14-4-3-5-16(12-14)25-19-18(20-8-9-21-19)15-6-10-22(11-7-15)17(23)13-24-2/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3
InChIKeySLKAIGULRHQTSF-UHFFFAOYSA-N
XLogP2.93
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 95822487
(1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822802
3-methoxy-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256428
[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 129458305
1-[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821922
3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 175656949
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 95823494
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
CID 175655392
2-methyl-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 175656534
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110091053
[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95822457

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95822508) is 2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCC(c2nccnc2Oc2cccc(C)c2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is SLKAIGULRHQTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-4-3-5-16(12-14)25-19-18(20-8-9-21-19)15-6-10-22(11-7-15)17(23)13-24-2/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95822508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).