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

C17H25NO5 — CID 70748201

IUPAC2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
SMILESCOCCOCC(=O)N1CCC(Oc2ccccc2OC)CC1
InChIInChI=1S/C17H25NO5/c1-20-11-12-22-13-17(19)18-9-7-14(8-10-18)23-16-6-4-3-5-15(16)21-2/h3-6,14H,7-13H2,1-2H3
InChIKeyFQSXFBZVHMJQPZ-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.73
Rot. Bonds8

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

2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone (PubChem CID 70748201) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
PubChem CID70748201
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
SMILESCOCCOCC(=O)N1CCC(Oc2ccccc2OC)CC1
InChIInChI=1S/C17H25NO5/c1-20-11-12-22-13-17(19)18-9-7-14(8-10-18)23-16-6-4-3-5-15(16)21-2/h3-6,14H,7-13H2,1-2H3
InChIKeyFQSXFBZVHMJQPZ-UHFFFAOYSA-N
XLogP1.73
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459
4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 70735264
1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 113226406
ethane;2-[4-(hydroxymethyl)phenoxy]-1-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]ethanone;propane
CID 145415545
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one
CID 70713988
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 95872118
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 121160844
1-[4-(2-methoxyphenoxy)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 70786598
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 119105498

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone (CID 70748201) is 2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone is COCCOCC(=O)N1CCC(Oc2ccccc2OC)CC1.
What is the InChIKey of 2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone?
The InChIKey is FQSXFBZVHMJQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-20-11-12-22-13-17(19)18-9-7-14(8-10-18)23-16-6-4-3-5-15(16)21-2/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone?
2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone has a molecular weight of 323.39 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 70748201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).