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

C13H21N3O3 — CID 79605835

IUPAC2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESCC(C)c1nc(CN2CCC(CC(=O)O)CC2)no1
InChIInChI=1S/C13H21N3O3/c1-9(2)13-14-11(15-19-13)8-16-5-3-10(4-6-16)7-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyGESLAIJOLWXTBX-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.88
Rot. Bonds5

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

2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid (PubChem CID 79605835) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
PubChem CID79605835
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESCC(C)c1nc(CN2CCC(CC(=O)O)CC2)no1
InChIInChI=1S/C13H21N3O3/c1-9(2)13-14-11(15-19-13)8-16-5-3-10(4-6-16)7-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyGESLAIJOLWXTBX-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid (CID 79605835) is 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid is CC(C)c1nc(CN2CCC(CC(=O)O)CC2)no1.
What is the InChIKey of 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is GESLAIJOLWXTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)13-14-11(15-19-13)8-16-5-3-10(4-6-16)7-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79605835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).