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

C19H23N3O2 — CID 124941123

IUPAC2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(c2cncc(C)n2)CC1
InChIInChI=1S/C19H23N3O2/c1-14-12-20-13-17(21-14)15-7-9-22(10-8-15)19(23)11-16-5-3-4-6-18(16)24-2/h3-6,12-13,15H,7-11H2,1-2H3
InChIKeyAKYSSSDNMVDTAU-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.74
Rot. Bonds4

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

2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone (PubChem CID 124941123) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
PubChem CID124941123
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(c2cncc(C)n2)CC1
InChIInChI=1S/C19H23N3O2/c1-14-12-20-13-17(21-14)15-7-9-22(10-8-15)19(23)11-16-5-3-4-6-18(16)24-2/h3-6,12-13,15H,7-11H2,1-2H3
InChIKeyAKYSSSDNMVDTAU-UHFFFAOYSA-N
XLogP2.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
2-(4-fluorophenoxy)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 125021789
2-(2-methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70718807
1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95845725
4-[(3R)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136819876
2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819861
4-[1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760277
1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 71883526
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 121017580
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone
CID 133447444

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone (CID 124941123) is 2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCC(c2cncc(C)n2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is AKYSSSDNMVDTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-12-20-13-17(21-14)15-7-9-22(10-8-15)19(23)11-16-5-3-4-6-18(16)24-2/h3-6,12-13,15H,7-11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124941123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).