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1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone

C21H27N3O3 — CID 122260311

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)cc1
InChIInChI=1S/C21H27N3O3/c1-4-26-18-9-7-17(8-10-18)13-21(25)24-11-5-6-19(14-24)27-20-12-15(2)22-16(3)23-20/h7-10,12,19H,4-6,11,13-14H2,1-3H3
InChIKeyNLZVCZDYTRCNAR-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.10
Rot. Bonds6

About 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone (PubChem CID 122260311) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
PubChem CID122260311
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)cc1
InChIInChI=1S/C21H27N3O3/c1-4-26-18-9-7-17(8-10-18)13-21(25)24-11-5-6-19(14-24)27-20-12-15(2)22-16(3)23-20/h7-10,12,19H,4-6,11,13-14H2,1-3H3
InChIKeyNLZVCZDYTRCNAR-UHFFFAOYSA-N
XLogP3.10
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The IUPAC name of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone (CID 122260311) is 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone is CCOc1ccc(CC(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)cc1.
What is the InChIKey of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The InChIKey is NLZVCZDYTRCNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-26-18-9-7-17(8-10-18)13-21(25)24-11-5-6-19(14-24)27-20-12-15(2)22-16(3)23-20/h7-10,12,19H,4-6,11,13-14H2,1-3H3.
What are the key properties of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone?
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone has a molecular weight of 369.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 122260311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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