cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone

C22H27N3O — CID 95819881

IUPACcyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1-c1cncc(C2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C22H27N3O/c1-16-6-2-5-9-19(16)21-15-23-14-20(24-21)17-10-12-25(13-11-17)22(26)18-7-3-4-8-18/h2,5-6,9,14-15,17-18H,3-4,7-8,10-13H2,1H3
InChIKeyXQUHNJKDXFHUKH-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.35
Rot. Bonds3

About cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone

cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 95819881) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID95819881
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Namecyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1-c1cncc(C2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C22H27N3O/c1-16-6-2-5-9-19(16)21-15-23-14-20(24-21)17-10-12-25(13-11-17)22(26)18-7-3-4-8-18/h2,5-6,9,14-15,17-18H,3-4,7-8,10-13H2,1H3
InChIKeyXQUHNJKDXFHUKH-UHFFFAOYSA-N
XLogP4.35
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819757
2-(2-methylphenyl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazine
CID 95819533
2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819861
1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95826525
cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 155985119
cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95815658
cyclopentyl-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155941699
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 124970955
1-(cyclohexanecarbonyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 113006064
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
[(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 124994832
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone (CID 95819881) is cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1ccccc1-c1cncc(C2CCN(C(=O)C3CCCC3)CC2)n1.
What is the InChIKey of cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is XQUHNJKDXFHUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16-6-2-5-9-19(16)21-15-23-14-20(24-21)17-10-12-25(13-11-17)22(26)18-7-3-4-8-18/h2,5-6,9,14-15,17-18H,3-4,7-8,10-13H2,1H3.
What are the key properties of cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone?
cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95819881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).