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

C20H27N5O — CID 95815658

IUPACcyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCCc1nccn1-c1cncc(C2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-2-18-22-9-12-25(18)19-14-21-13-17(23-19)15-7-10-24(11-8-15)20(26)16-5-3-4-6-16/h9,12-16H,2-8,10-11H2,1H3
InChIKeyVHMYRWHSHMCTQD-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.12
Rot. Bonds4

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

cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 95815658) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID95815658
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Namecyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCCc1nccn1-c1cncc(C2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-2-18-22-9-12-25(18)19-14-21-13-17(23-19)15-7-10-24(11-8-15)20(26)16-5-3-4-6-16/h9,12-16H,2-8,10-11H2,1H3
InChIKeyVHMYRWHSHMCTQD-UHFFFAOYSA-N
XLogP3.12
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95815613
cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 110267761
cyclopentyl-[3-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110253502
[(3S)-3-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95815602
2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95838647
[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838332
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815880
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815881
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 95838357
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110267913
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95815716

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone (CID 95815658) is cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone is CCc1nccn1-c1cncc(C2CCN(C(=O)C3CCCC3)CC2)n1.
What is the InChIKey of cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is VHMYRWHSHMCTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-18-22-9-12-25(18)19-14-21-13-17(23-19)15-7-10-24(11-8-15)20(26)16-5-3-4-6-16/h9,12-16H,2-8,10-11H2,1H3.
What are the key properties of cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone?
cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95815658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).