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

C19H25N3O3 — CID 71801323

IUPAC1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCOCCc1noc(C2CCN(C(=O)Cc3cccc(C)c3)CC2)n1
InChIInChI=1S/C19H25N3O3/c1-14-4-3-5-15(12-14)13-18(23)22-9-6-16(7-10-22)19-20-17(21-25-19)8-11-24-2/h3-5,12,16H,6-11,13H2,1-2H3
InChIKeyGXFQBHVDDREBNQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.52
Rot. Bonds6

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

1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 71801323) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID71801323
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCOCCc1noc(C2CCN(C(=O)Cc3cccc(C)c3)CC2)n1
InChIInChI=1S/C19H25N3O3/c1-14-4-3-5-15(12-14)13-18(23)22-9-6-16(7-10-22)19-20-17(21-25-19)8-11-24-2/h3-5,12,16H,6-11,13H2,1-2H3
InChIKeyGXFQBHVDDREBNQ-UHFFFAOYSA-N
XLogP2.52
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984688
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 71801329
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone
CID 121096632
2-(3-methylphenyl)-1-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
CID 91891951
2-(3-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 134813379
2-(3-fluorophenyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53032675
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 121093062
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90591701
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51984855

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone (CID 71801323) is 1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone is COCCc1noc(C2CCN(C(=O)Cc3cccc(C)c3)CC2)n1.
What is the InChIKey of 1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is GXFQBHVDDREBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-4-3-5-15(12-14)13-18(23)22-9-6-16(7-10-22)19-20-17(21-25-19)8-11-24-2/h3-5,12,16H,6-11,13H2,1-2H3.
What are the key properties of 1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone?
1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 343.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 71801323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).