2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

C17H22N4O3 — CID 56708602

IUPAC2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCN1CCC(Cc2noc(-c3cccc(OCC(N)=O)c3)n2)CC1
InChIInChI=1S/C17H22N4O3/c1-21-7-5-12(6-8-21)9-16-19-17(24-20-16)13-3-2-4-14(10-13)23-11-15(18)22/h2-4,10,12H,5-9,11H2,1H3,(H2,18,22)
InChIKeyPQENKPLKZDWSDW-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.49
Rot. Bonds6

About 2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 56708602) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
PubChem CID56708602
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCN1CCC(Cc2noc(-c3cccc(OCC(N)=O)c3)n2)CC1
InChIInChI=1S/C17H22N4O3/c1-21-7-5-12(6-8-21)9-16-19-17(24-20-16)13-3-2-4-14(10-13)23-11-15(18)22/h2-4,10,12H,5-9,11H2,1H3,(H2,18,22)
InChIKeyPQENKPLKZDWSDW-UHFFFAOYSA-N
XLogP1.49
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The IUPAC name of 2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 56708602) is 2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is CN1CCC(Cc2noc(-c3cccc(OCC(N)=O)c3)n2)CC1.
What is the InChIKey of 2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The InChIKey is PQENKPLKZDWSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-21-7-5-12(6-8-21)9-16-19-17(24-20-16)13-3-2-4-14(10-13)23-11-15(18)22/h2-4,10,12H,5-9,11H2,1H3,(H2,18,22).
What are the key properties of 2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 330.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 56708602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).