1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone

C18H21N3O3 — CID 90636962

IUPAC1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCOc1nccnc1OC1CCN(C(=O)Cc2cccc(C)c2)C1
InChIInChI=1S/C18H21N3O3/c1-13-4-3-5-14(10-13)11-16(22)21-9-6-15(12-21)24-18-17(23-2)19-7-8-20-18/h3-5,7-8,10,15H,6,9,11-12H2,1-2H3
InChIKeyLLTNDDLXJOCGFY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.02
Rot. Bonds5

About 1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone

1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 90636962) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID90636962
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCOc1nccnc1OC1CCN(C(=O)Cc2cccc(C)c2)C1
InChIInChI=1S/C18H21N3O3/c1-13-4-3-5-14(10-13)11-16(22)21-9-6-15(12-21)24-18-17(23-2)19-7-8-20-18/h3-5,7-8,10,15H,6,9,11-12H2,1-2H3
InChIKeyLLTNDDLXJOCGFY-UHFFFAOYSA-N
XLogP2.02
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 91628122
3-[1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627990
3-[(3S)-1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649784
1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 100756830
2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645265
3-[1-[3-(3-methylphenyl)propanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636679
2-(1,3-benzodioxol-5-yl)-1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]ethanone
CID 100654984
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]prop-2-en-1-one
CID 100612238
3,3,3-trifluoro-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 100757249
6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one
CID 129410643
N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 100757200
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone (CID 90636962) is 1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone is COc1nccnc1OC1CCN(C(=O)Cc2cccc(C)c2)C1.
What is the InChIKey of 1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is LLTNDDLXJOCGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-4-3-5-14(10-13)11-16(22)21-9-6-15(12-21)24-18-17(23-2)19-7-8-20-18/h3-5,7-8,10,15H,6,9,11-12H2,1-2H3.
What are the key properties of 1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone?
1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 327.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 90636962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).