2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone

C18H21N3O2 — CID 100645265

IUPAC2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCC[C@@H](Oc3cnccn3)C2)c1
InChIInChI=1S/C18H21N3O2/c1-14-4-2-5-15(10-14)11-18(22)21-9-3-6-16(13-21)23-17-12-19-7-8-20-17/h2,4-5,7-8,10,12,16H,3,6,9,11,13H2,1H3/t16-/m1/s1
InChIKeyJMYONYZQPXRNJJ-MRXNPFEDSA-N
MW311.38 g/mol
LogP2.40
Rot. Bonds4

About 2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone

2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone (PubChem CID 100645265) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
PubChem CID100645265
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCC[C@@H](Oc3cnccn3)C2)c1
InChIInChI=1S/C18H21N3O2/c1-14-4-2-5-15(10-14)11-18(22)21-9-3-6-16(13-21)23-17-12-19-7-8-20-17/h2,4-5,7-8,10,12,16H,3,6,9,11,13H2,1H3/t16-/m1/s1
InChIKeyJMYONYZQPXRNJJ-MRXNPFEDSA-N
XLogP2.40
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
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
2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645154
1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90636962
2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 91627845
1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
CID 100656722
2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 90636279
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 122256404
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]propan-1-one
CID 100644730

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone (CID 100645265) is 2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone is Cc1cccc(CC(=O)N2CCC[C@@H](Oc3cnccn3)C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone?
The InChIKey is JMYONYZQPXRNJJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-4-2-5-15(10-14)11-18(22)21-9-3-6-16(13-21)23-17-12-19-7-8-20-17/h2,4-5,7-8,10,12,16H,3,6,9,11,13H2,1H3/t16-/m1/s1.
What are the key properties of 2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone?
2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone has a molecular weight of 311.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone is sourced from PubChem (CID 100645265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).