2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone

C19H24FN3O5 — CID 163339057

IUPAC2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone
SMILESCOCCc1noc(COC2CCN(C(=O)COc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H24FN3O5/c1-25-11-8-17-21-18(28-22-17)12-26-16-6-9-23(10-7-16)19(24)13-27-15-4-2-14(20)3-5-15/h2-5,16H,6-13H2,1H3
InChIKeyQJXXIMJRAJMVTG-UHFFFAOYSA-N
MW393.42 g/mol
LogP1.98
Rot. Bonds9

About 2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone (PubChem CID 163339057) has the molecular formula C19H24FN3O5 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone
PubChem CID163339057
Molecular FormulaC19H24FN3O5
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC Name2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone
SMILESCOCCc1noc(COC2CCN(C(=O)COc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H24FN3O5/c1-25-11-8-17-21-18(28-22-17)12-26-16-6-9-23(10-7-16)19(24)13-27-15-4-2-14(20)3-5-15/h2-5,16H,6-13H2,1H3
InChIKeyQJXXIMJRAJMVTG-UHFFFAOYSA-N
XLogP1.98
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one
CID 163338329
(2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone
CID 163339027
N-(4-ethylphenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxamide
CID 163339676
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119661488
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-methylpiperidine-1-carboxamide
CID 110204028
1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone
CID 91918267
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
1-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride
CID 120751085
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 121022722
1-[2-(4-methoxyphenoxy)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602099
2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 94695032
methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
CID 110822979

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone (CID 163339057) is 2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone is COCCc1noc(COC2CCN(C(=O)COc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone?
The InChIKey is QJXXIMJRAJMVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O5/c1-25-11-8-17-21-18(28-22-17)12-26-16-6-9-23(10-7-16)19(24)13-27-15-4-2-14(20)3-5-15/h2-5,16H,6-13H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone has a molecular weight of 393.42 g/mol, XLogP of 1.98, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 163339057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).