1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone

C19H23N3O3 — CID 135104601

IUPAC1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
SMILESCOc1ccccc1OC1CCN(c2ncc(C(C)=O)c(C)n2)CC1
InChIInChI=1S/C19H23N3O3/c1-13-16(14(2)23)12-20-19(21-13)22-10-8-15(9-11-22)25-18-7-5-4-6-17(18)24-3/h4-7,12,15H,8-11H2,1-3H3
InChIKeyQHLZRNPJAUZVOD-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.04
Rot. Bonds5

About 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone

1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 135104601) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
PubChem CID135104601
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
SMILESCOc1ccccc1OC1CCN(c2ncc(C(C)=O)c(C)n2)CC1
InChIInChI=1S/C19H23N3O3/c1-13-16(14(2)23)12-20-19(21-13)22-10-8-15(9-11-22)25-18-7-5-4-6-17(18)24-3/h4-7,12,15H,8-11H2,1-3H3
InChIKeyQHLZRNPJAUZVOD-UHFFFAOYSA-N
XLogP3.04
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone (CID 135104601) is 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone is COc1ccccc1OC1CCN(c2ncc(C(C)=O)c(C)n2)CC1.
What is the InChIKey of 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is QHLZRNPJAUZVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-16(14(2)23)12-20-19(21-13)22-10-8-15(9-11-22)25-18-7-5-4-6-17(18)24-3/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 135104601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).