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

C13H21N3O3 — CID 62688896

IUPAC2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
SMILESCC(C)c1nc(CN2CCCC(CC(=O)O)C2)no1
InChIInChI=1S/C13H21N3O3/c1-9(2)13-14-11(15-19-13)8-16-5-3-4-10(7-16)6-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyXCXZSRMWXKIOFE-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-3-yl]acetic acid

2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid (PubChem CID 62688896) 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-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
PubChem CID62688896
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-3-yl]acetic acid
SMILESCC(C)c1nc(CN2CCCC(CC(=O)O)C2)no1
InChIInChI=1S/C13H21N3O3/c1-9(2)13-14-11(15-19-13)8-16-5-3-4-10(7-16)6-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyXCXZSRMWXKIOFE-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

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

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Launch Full Analysis

Related Compounds

2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79605835
2-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 62690798
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241895
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 54959399
2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid
CID 66434488
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
CID 62690788
(5R)-5-methyl-5-[(3S)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 95780978
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909578
3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046675
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 55256456
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
CID 62357687

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid (CID 62688896) is 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid is CC(C)c1nc(CN2CCCC(CC(=O)O)C2)no1.
What is the InChIKey of 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid?
The InChIKey is XCXZSRMWXKIOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)13-14-11(15-19-13)8-16-5-3-4-10(7-16)6-12(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-3-yl]acetic acid?
2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-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-3-yl]acetic acid is sourced from PubChem (CID 62688896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).