1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone

C18H21N3O3 — CID 91628122

IUPAC1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
SMILESCOc1nccnc1OC1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C18H21N3O3/c1-23-17-18(20-10-9-19-17)24-15-8-5-11-21(13-15)16(22)12-14-6-3-2-4-7-14/h2-4,6-7,9-10,15H,5,8,11-13H2,1H3
InChIKeyHBCLIUUKFCAFRW-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.10
Rot. Bonds5

About 1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone

1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone (PubChem CID 91628122) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
PubChem CID91628122
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
SMILESCOc1nccnc1OC1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C18H21N3O3/c1-23-17-18(20-10-9-19-17)24-15-8-5-11-21(13-15)16(22)12-14-6-3-2-4-7-14/h2-4,6-7,9-10,15H,5,8,11-13H2,1H3
InChIKeyHBCLIUUKFCAFRW-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]ethanone
CID 100654984
1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90636962
1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 100756830
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
3-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 100654309
[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91628111
1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone
CID 91914199
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-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-3-methylbut-2-en-1-one
CID 91628151
1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
CID 100656722
3-[2-[(3R)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 100654793

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone (CID 91628122) is 1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone is COc1nccnc1OC1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone?
The InChIKey is HBCLIUUKFCAFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-17-18(20-10-9-19-17)24-15-8-5-11-21(13-15)16(22)12-14-6-3-2-4-7-14/h2-4,6-7,9-10,15H,5,8,11-13H2,1H3.
What are the key properties of 1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone?
1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone has a molecular weight of 327.38 g/mol, XLogP of 2.10, 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)oxypiperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 91628122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).