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

C21H23N5O3 — CID 95822950

IUPAC[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCOc1ccccc1Oc1nccnc1C1CCN(C(=O)c2ccn(C)n2)CC1
InChIInChI=1S/C21H23N5O3/c1-25-12-9-16(24-25)21(27)26-13-7-15(8-14-26)19-20(23-11-10-22-19)29-18-6-4-3-5-17(18)28-2/h3-6,9-12,15H,7-8,13-14H2,1-2H3
InChIKeyKVHFOTOBMLIBGC-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.03
Rot. Bonds5

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

[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 95822950) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID95822950
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCOc1ccccc1Oc1nccnc1C1CCN(C(=O)c2ccn(C)n2)CC1
InChIInChI=1S/C21H23N5O3/c1-25-12-9-16(24-25)21(27)26-13-7-15(8-14-26)19-20(23-11-10-22-19)29-18-6-4-3-5-17(18)28-2/h3-6,9-12,15H,7-8,13-14H2,1-2H3
InChIKeyKVHFOTOBMLIBGC-UHFFFAOYSA-N
XLogP3.03
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822355
[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
1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821902
(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95823174
(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824432
[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 125008764
[3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 110151576
2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823252
(1-methylpyrazol-3-yl)-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824434
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 95822950) is [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2ccn(C)n2)CC1.
What is the InChIKey of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is KVHFOTOBMLIBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-25-12-9-16(24-25)21(27)26-13-7-15(8-14-26)19-20(23-11-10-22-19)29-18-6-4-3-5-17(18)28-2/h3-6,9-12,15H,7-8,13-14H2,1-2H3.
What are the key properties of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 393.45 g/mol, XLogP of 3.03, 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]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 95822950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).