2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone

C20H25N3O4 — CID 122261332

IUPAC2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC(Oc3ccnc(OC)n3)C2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-26-16-8-6-15(7-9-16)13-19(24)23-12-4-5-17(14-23)27-18-10-11-21-20(22-18)25-2/h6-11,17H,3-5,12-14H2,1-2H3
InChIKeyYXCAYWQOMWNKFR-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.50
Rot. Bonds7

About 2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone (PubChem CID 122261332) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
PubChem CID122261332
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC(Oc3ccnc(OC)n3)C2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-26-16-8-6-15(7-9-16)13-19(24)23-12-4-5-17(14-23)27-18-10-11-21-20(22-18)25-2/h6-11,17H,3-5,12-14H2,1-2H3
InChIKeyYXCAYWQOMWNKFR-UHFFFAOYSA-N
XLogP2.50
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethoxyphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261264
2-(1,3-benzodioxol-5-yl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261467
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 122260311
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
2-(1H-indol-3-yl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261208
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
2-cyclopentylsulfanyl-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261170
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 122261520
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
2-chloro-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122261251
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone (CID 122261332) is 2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCCC(Oc3ccnc(OC)n3)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is YXCAYWQOMWNKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-26-16-8-6-15(7-9-16)13-19(24)23-12-4-5-17(14-23)27-18-10-11-21-20(22-18)25-2/h6-11,17H,3-5,12-14H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 122261332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).