3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid

C13H21N3O3 — CID 81046675

IUPAC3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid
SMILESCc1nc(CN2CCCC(C(C)CC(=O)O)C2)no1
InChIInChI=1S/C13H21N3O3/c1-9(6-13(17)18)11-4-3-5-16(7-11)8-12-14-10(2)19-15-12/h9,11H,3-8H2,1-2H3,(H,17,18)
InChIKeyODAZMNJOJBFEER-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.70
Rot. Bonds5

About 3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid

3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid (PubChem CID 81046675) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid
PubChem CID81046675
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid
SMILESCc1nc(CN2CCCC(C(C)CC(=O)O)C2)no1
InChIInChI=1S/C13H21N3O3/c1-9(6-13(17)18)11-4-3-5-16(7-11)8-12-14-10(2)19-15-12/h9,11H,3-8H2,1-2H3,(H,17,18)
InChIKeyODAZMNJOJBFEER-UHFFFAOYSA-N
XLogP1.70
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid (CID 81046675) is 3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid is Cc1nc(CN2CCCC(C(C)CC(=O)O)C2)no1.
What is the InChIKey of 3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid?
The InChIKey is ODAZMNJOJBFEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(6-13(17)18)11-4-3-5-16(7-11)8-12-14-10(2)19-15-12/h9,11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid?
3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).