3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

C13H21N3O3 — CID 115081859

IUPAC3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCC(C)N1CCCC(c2noc(CCC(=O)O)n2)C1
InChIInChI=1S/C13H21N3O3/c1-9(2)16-7-3-4-10(8-16)13-14-11(19-15-13)5-6-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyVDLFUXZIQHNTOD-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.67
Rot. Bonds5

About 3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 115081859) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID115081859
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCC(C)N1CCCC(c2noc(CCC(=O)O)n2)C1
InChIInChI=1S/C13H21N3O3/c1-9(2)16-7-3-4-10(8-16)13-14-11(19-15-13)5-6-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyVDLFUXZIQHNTOD-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-Ethylpiperidin-4-YL)-4-(3-methyl-1,2,4-oxadiazol-5-YL)pyrrolidin-3-YL]methanol
CID 110202948
1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 94816217
4-[3-(2-Fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 66826112
3-[3-(1-Methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 22343087
3-[3-(1-Methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 22343104
Methyl 3-[3-(1-Methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propionate
CID 22343112
Methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343186
3-[3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 22343199
3-[3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 22343334
3-[3-(1-Methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 22343383
Methyl 3-[3-(1-tert-Butyloxycarbonylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propionate
CID 22343385
3-Propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 58546734

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 115081859) is 3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid is CC(C)N1CCCC(c2noc(CCC(=O)O)n2)C1.
What is the InChIKey of 3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is VDLFUXZIQHNTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)16-7-3-4-10(8-16)13-14-11(19-15-13)5-6-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 115081859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).