[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

C21H21N5O3 — CID 95822355

IUPAC[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1ccccc1Oc1nccnc1C1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C21H21N5O3/c1-28-17-4-2-3-5-18(17)29-20-19(24-10-11-25-20)15-6-12-26(13-7-15)21(27)16-14-22-8-9-23-16/h2-5,8-11,14-15H,6-7,12-13H2,1H3
InChIKeyGUGVQITVSGNGQN-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.09
Rot. Bonds5

About [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95822355) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95822355
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1ccccc1Oc1nccnc1C1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C21H21N5O3/c1-28-17-4-2-3-5-18(17)29-20-19(24-10-11-25-20)15-6-12-26(13-7-15)21(27)16-14-22-8-9-23-16/h2-5,8-11,14-15H,6-7,12-13H2,1H3
InChIKeyGUGVQITVSGNGQN-UHFFFAOYSA-N
XLogP3.09
TPSA90.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95822950
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95823462
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110151938
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821902
pyrazin-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35897297
2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823252
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822299
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822353
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
[2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-pyrazin-2-ylmethanone
CID 3233419

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 95822355) is [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is GUGVQITVSGNGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-28-17-4-2-3-5-18(17)29-20-19(24-10-11-25-20)15-6-12-26(13-7-15)21(27)16-14-22-8-9-23-16/h2-5,8-11,14-15H,6-7,12-13H2,1H3.
What are the key properties of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 391.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95822355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).