2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine

C22H27N5O2 — CID 95823426

IUPAC2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine
SMILESCCn1ccnc1CN1CCC[C@H](c2cncc(Oc3ccccc3OC)n2)C1
InChIInChI=1S/C22H27N5O2/c1-3-27-12-10-24-21(27)16-26-11-6-7-17(15-26)18-13-23-14-22(25-18)29-20-9-5-4-8-19(20)28-2/h4-5,8-10,12-14,17H,3,6-7,11,15-16H2,1-2H3/t17-/m0/s1
InChIKeyGALJSVSJUFAVGG-KRWDZBQOSA-N
MW393.49 g/mol
LogP3.87
Rot. Bonds7

About 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine

2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine (PubChem CID 95823426) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine.

Molecular Properties

Compound Name2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine
PubChem CID95823426
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine
SMILESCCn1ccnc1CN1CCC[C@H](c2cncc(Oc3ccccc3OC)n2)C1
InChIInChI=1S/C22H27N5O2/c1-3-27-12-10-24-21(27)16-26-11-6-7-17(15-26)18-13-23-14-22(25-18)29-20-9-5-4-8-19(20)28-2/h4-5,8-10,12-14,17H,3,6-7,11,15-16H2,1-2H3/t17-/m0/s1
InChIKeyGALJSVSJUFAVGG-KRWDZBQOSA-N
XLogP3.87
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine with MolForge

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Related Compounds

2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 95823368
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine
CID 95810617
2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823409
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 95810615
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine
CID 124950353
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-6-pyridin-3-yloxypyrazine
CID 95844018
2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110256243
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine?
The IUPAC name of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine (CID 95823426) is 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine.
What is the SMILES notation for 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine?
The canonical SMILES for 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine is CCn1ccnc1CN1CCC[C@H](c2cncc(Oc3ccccc3OC)n2)C1.
What is the InChIKey of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine?
The InChIKey is GALJSVSJUFAVGG-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-27-12-10-24-21(27)16-26-11-6-7-17(15-26)18-13-23-14-22(25-18)29-20-9-5-4-8-19(20)28-2/h4-5,8-10,12-14,17H,3,6-7,11,15-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine?
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine has a molecular weight of 393.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine is sourced from PubChem (CID 95823426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).