[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone

C20H23NO4 — CID 110396821

IUPAC[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H23NO4/c1-23-16-5-3-15(4-6-16)20(22)21-13-11-19(12-14-21)25-18-9-7-17(24-2)8-10-18/h3-10,19H,11-14H2,1-2H3
InChIKeyQFYYSIKMGZEPTE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.39
Rot. Bonds5

About [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone

[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 110396821) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID110396821
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H23NO4/c1-23-16-5-3-15(4-6-16)20(22)21-13-11-19(12-14-21)25-18-9-7-17(24-2)8-10-18/h3-10,19H,11-14H2,1-2H3
InChIKeyQFYYSIKMGZEPTE-UHFFFAOYSA-N
XLogP3.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 166377497
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
(1-hydroxypyridin-1-ium-4-yl)-[(3R)-3-(4-methoxyphenoxy)pyrrolidin-1-yl]methanone
CID 58357528
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
(4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916336

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 110396821) is [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(OC2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is QFYYSIKMGZEPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-16-5-3-15(4-6-16)20(22)21-13-11-19(12-14-21)25-18-9-7-17(24-2)8-10-18/h3-10,19H,11-14H2,1-2H3.
What are the key properties of [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 341.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 110396821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).