2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone

C18H21N3O4 — CID 100645154

IUPAC2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCC[C@H](Oc3cnccn3)C2)c1
InChIInChI=1S/C18H21N3O4/c1-23-14-4-2-5-15(10-14)24-13-18(22)21-9-3-6-16(12-21)25-17-11-19-7-8-20-17/h2,4-5,7-8,10-11,16H,3,6,9,12-13H2,1H3/t16-/m0/s1
InChIKeyJNVNZZLLBJZAHT-INIZCTEOSA-N
MW343.38 g/mol
LogP1.93
Rot. Bonds6

About 2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone

2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone (PubChem CID 100645154) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
PubChem CID100645154
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCC[C@H](Oc3cnccn3)C2)c1
InChIInChI=1S/C18H21N3O4/c1-23-14-4-2-5-15(10-14)24-13-18(22)21-9-3-6-16(12-21)25-17-11-19-7-8-20-17/h2,4-5,7-8,10-11,16H,3,6,9,12-13H2,1H3/t16-/m0/s1
InChIKeyJNVNZZLLBJZAHT-INIZCTEOSA-N
XLogP1.93
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 122257818
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 122268059
2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645265
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124574816
2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161902
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687485
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113
(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636093
2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 91627845
3-[(3S)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649655

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone (CID 100645154) is 2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone is COc1cccc(OCC(=O)N2CCC[C@H](Oc3cnccn3)C2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone?
The InChIKey is JNVNZZLLBJZAHT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-23-14-4-2-5-15(10-14)24-13-18(22)21-9-3-6-16(12-21)25-17-11-19-7-8-20-17/h2,4-5,7-8,10-11,16H,3,6,9,12-13H2,1H3/t16-/m0/s1.
What are the key properties of 2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone?
2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone has a molecular weight of 343.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone is sourced from PubChem (CID 100645154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).