2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone

C25H33N3O4 — CID 90617176

IUPAC2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCCOc1ccc(OCC(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)cc1
InChIInChI=1S/C25H33N3O4/c1-2-30-21-3-5-22(6-4-21)31-19-25(29)28-15-9-20(10-16-28)27-17-11-24(12-18-27)32-23-7-13-26-14-8-23/h3-8,13-14,20,24H,2,9-12,15-19H2,1H3
InChIKeyDSDVQKVBYAXYMR-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.39
Rot. Bonds8

About 2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone

2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone (PubChem CID 90617176) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
PubChem CID90617176
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCCOc1ccc(OCC(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)cc1
InChIInChI=1S/C25H33N3O4/c1-2-30-21-3-5-22(6-4-21)31-19-25(29)28-15-9-20(10-16-28)27-17-11-24(12-18-27)32-23-7-13-26-14-8-23/h3-8,13-14,20,24H,2,9-12,15-19H2,1H3
InChIKeyDSDVQKVBYAXYMR-UHFFFAOYSA-N
XLogP3.39
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617132
2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255770
[4-(2-methoxyethoxy)phenyl]-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617275
1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
CID 134020442
2-(4-ethoxyphenoxy)-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162479
2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617346
1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 90617118
3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617225
2-(4-fluorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617113
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90616528
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone (CID 90617176) is 2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone is CCOc1ccc(OCC(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is DSDVQKVBYAXYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-2-30-21-3-5-22(6-4-21)31-19-25(29)28-15-9-20(10-16-28)27-17-11-24(12-18-27)32-23-7-13-26-14-8-23/h3-8,13-14,20,24H,2,9-12,15-19H2,1H3.
What are the key properties of 2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone?
2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 439.56 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 90617176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).