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

C12H19N3O3 — CID 22343186

IUPACmethyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate
SMILESCOC(=O)CCc1nc(C2CCN(C)CC2)no1
InChIInChI=1S/C12H19N3O3/c1-15-7-5-9(6-8-15)12-13-10(18-14-12)3-4-11(16)17-2/h9H,3-8H2,1-2H3
InChIKeyOGEOUISYVLXRNA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.98
Rot. Bonds4

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

methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate (PubChem CID 22343186) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate
PubChem CID22343186
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate
SMILESCOC(=O)CCc1nc(C2CCN(C)CC2)no1
InChIInChI=1S/C12H19N3O3/c1-15-7-5-9(6-8-15)12-13-10(18-14-12)3-4-11(16)17-2/h9H,3-8H2,1-2H3
InChIKeyOGEOUISYVLXRNA-UHFFFAOYSA-N
XLogP0.98
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate?
The IUPAC name of methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate (CID 22343186) is methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate.
What is the SMILES notation for methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate?
The canonical SMILES for methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate is COC(=O)CCc1nc(C2CCN(C)CC2)no1.
What is the InChIKey of methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate?
The InChIKey is OGEOUISYVLXRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15-7-5-9(6-8-15)12-13-10(18-14-12)3-4-11(16)17-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate?
methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate has a molecular weight of 253.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate is sourced from PubChem (CID 22343186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).