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

C18H21F2N3O4 — CID 163339027

IUPAC(2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone
SMILESCOCCc1noc(COC2CCN(C(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C18H21F2N3O4/c1-25-9-6-16-21-17(27-22-16)11-26-13-4-7-23(8-5-13)18(24)14-3-2-12(19)10-15(14)20/h2-3,10,13H,4-9,11H2,1H3
InChIKeyCQFJUCWXXLCRFM-UHFFFAOYSA-N
MW381.38 g/mol
LogP2.36
Rot. Bonds7

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

(2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone (PubChem CID 163339027) has the molecular formula C18H21F2N3O4 and a molecular weight of 381.38 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone
PubChem CID163339027
Molecular FormulaC18H21F2N3O4
Molecular Weight381.38 g/mol
Exact Mass381.15
IUPAC Name(2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone
SMILESCOCCc1noc(COC2CCN(C(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C18H21F2N3O4/c1-25-9-6-16-21-17(27-22-16)11-26-13-4-7-23(8-5-13)18(24)14-3-2-12(19)10-15(14)20/h2-3,10,13H,4-9,11H2,1H3
InChIKeyCQFJUCWXXLCRFM-UHFFFAOYSA-N
XLogP2.36
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone
CID 163339057
1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one
CID 163338329
N-(4-ethylphenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxamide
CID 163339676
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108562171
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-methylpiperidine-1-carboxamide
CID 110204028
1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134062497
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 34264337
butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride
CID 119664484
1-(2,4-difluorobenzoyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 46434484

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone (CID 163339027) is (2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone is COCCc1noc(COC2CCN(C(=O)c3ccc(F)cc3F)CC2)n1.
What is the InChIKey of (2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone?
The InChIKey is CQFJUCWXXLCRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O4/c1-25-9-6-16-21-17(27-22-16)11-26-13-4-7-23(8-5-13)18(24)14-3-2-12(19)10-15(14)20/h2-3,10,13H,4-9,11H2,1H3.
What are the key properties of (2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone?
(2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone has a molecular weight of 381.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 163339027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).