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

C22H22N4O2 — CID 95822299

IUPAC[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1ccc(Oc2nccnc2C2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c1-16-4-6-19(7-5-16)28-21-20(24-11-12-25-21)17-8-13-26(14-9-17)22(27)18-3-2-10-23-15-18/h2-7,10-12,15,17H,8-9,13-14H2,1H3
InChIKeyHBKMOBXYKDXENN-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.99
Rot. Bonds4

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

[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95822299) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95822299
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1ccc(Oc2nccnc2C2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c1-16-4-6-19(7-5-16)28-21-20(24-11-12-25-21)17-8-13-26(14-9-17)22(27)18-3-2-10-23-15-18/h2-7,10-12,15,17H,8-9,13-14H2,1H3
InChIKeyHBKMOBXYKDXENN-UHFFFAOYSA-N
XLogP3.99
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822283
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822826
[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 129458305
2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95823275
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110091053
[4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110151630
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822817
[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone
CID 124975201
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone
CID 124974183
2-[4-(3-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 95822061

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 95822299) is [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is HBKMOBXYKDXENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-4-6-19(7-5-16)28-21-20(24-11-12-25-21)17-8-13-26(14-9-17)22(27)18-3-2-10-23-15-18/h2-7,10-12,15,17H,8-9,13-14H2,1H3.
What are the key properties of [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 374.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95822299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).