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

C11H17N3O3 — CID 146082765

IUPAC3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1CC(=O)N1CCCCC1C
InChIInChI=1S/C11H17N3O3/c1-8-5-3-4-6-13(8)10(15)7-14-9(2)12-17-11(14)16/h8H,3-7H2,1-2H3
InChIKeyOKFPXRXQZJHZBW-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.55
Rot. Bonds2

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

3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one (PubChem CID 146082765) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
PubChem CID146082765
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1CC(=O)N1CCCCC1C
InChIInChI=1S/C11H17N3O3/c1-8-5-3-4-6-13(8)10(15)7-14-9(2)12-17-11(14)16/h8H,3-7H2,1-2H3
InChIKeyOKFPXRXQZJHZBW-UHFFFAOYSA-N
XLogP0.55
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Tert-butyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
CID 146075504
4-[2-(Azepan-1-yl)-2-oxoethyl]-3-methyl-1,2,4-oxadiazol-5-one
CID 146082709
4-[2-(2-Methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
CID 146082801

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one (CID 146082765) is 3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one is Cc1noc(=O)n1CC(=O)N1CCCCC1C.
What is the InChIKey of 3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one?
The InChIKey is OKFPXRXQZJHZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-5-3-4-6-13(8)10(15)7-14-9(2)12-17-11(14)16/h8H,3-7H2,1-2H3.
What are the key properties of 3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one?
3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one has a molecular weight of 239.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146082765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).