2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

C25H27N3O2 — CID 95819861

IUPAC2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3cncc(-c4ccccc4C)n3)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-18-5-3-4-6-22(18)24-17-26-16-23(27-24)20-11-13-28(14-12-20)25(29)15-19-7-9-21(30-2)10-8-19/h3-10,16-17,20H,11-15H2,1-2H3
InChIKeyTUKBLANWPQFRGB-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.41
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95819861) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95819861
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3cncc(-c4ccccc4C)n3)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-18-5-3-4-6-22(18)24-17-26-16-23(27-24)20-11-13-28(14-12-20)25(29)15-19-7-9-21(30-2)10-8-19/h3-10,16-17,20H,11-15H2,1-2H3
InChIKeyTUKBLANWPQFRGB-UHFFFAOYSA-N
XLogP4.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819881
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819757
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910
2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124941123
2-(2-methylphenyl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazine
CID 95819533
2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 16669839
2-(3,5-dimethoxyphenyl)-1-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121795
2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95838767
2-(4-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 8910906
1-[(3S)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809900
2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087303

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95819861) is 2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(c3cncc(-c4ccccc4C)n3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is TUKBLANWPQFRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-5-3-4-6-22(18)24-17-26-16-23(27-24)20-11-13-28(14-12-20)25(29)15-19-7-9-21(30-2)10-8-19/h3-10,16-17,20H,11-15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 401.51 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95819861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).