1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone

C19H25N3O4 — CID 110610328

IUPAC1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCCOCC1CCCN(C(=O)Cc2nc(-c3ccc(OC)cc3)no2)C1
InChIInChI=1S/C19H25N3O4/c1-3-25-13-14-5-4-10-22(12-14)18(23)11-17-20-19(21-26-17)15-6-8-16(24-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyYKEVBLSNEQRZCZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.56
Rot. Bonds7

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

1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 110610328) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID110610328
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCCOCC1CCCN(C(=O)Cc2nc(-c3ccc(OC)cc3)no2)C1
InChIInChI=1S/C19H25N3O4/c1-3-25-13-14-5-4-10-22(12-14)18(23)11-17-20-19(21-26-17)15-6-8-16(24-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyYKEVBLSNEQRZCZ-UHFFFAOYSA-N
XLogP2.56
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 92687613
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 110610297
1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 42760396
1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 3226063
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 43927604
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110418083
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 154385499
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110610280
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119539652
1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110610382
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63344667

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone (CID 110610328) is 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone is CCOCC1CCCN(C(=O)Cc2nc(-c3ccc(OC)cc3)no2)C1.
What is the InChIKey of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is YKEVBLSNEQRZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-25-13-14-5-4-10-22(12-14)18(23)11-17-20-19(21-26-17)15-6-8-16(24-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 359.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 110610328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).