1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid

C13H19N3O3 — CID 69276422

IUPAC1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid
SMILESCc1noc(C2CC(N3CCC(C(=O)O)CC3)C2)n1
InChIInChI=1S/C13H19N3O3/c1-8-14-12(19-15-8)10-6-11(7-10)16-4-2-9(3-5-16)13(17)18/h9-11H,2-7H2,1H3,(H,17,18)
InChIKeyQBXSQVSQBVIHFD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.42
Rot. Bonds3

About 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid

1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid (PubChem CID 69276422) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid
PubChem CID69276422
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid
SMILESCc1noc(C2CC(N3CCC(C(=O)O)CC3)C2)n1
InChIInChI=1S/C13H19N3O3/c1-8-14-12(19-15-8)10-6-11(7-10)16-4-2-9(3-5-16)13(17)18/h9-11H,2-7H2,1H3,(H,17,18)
InChIKeyQBXSQVSQBVIHFD-UHFFFAOYSA-N
XLogP1.42
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid (CID 69276422) is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid is Cc1noc(C2CC(N3CCC(C(=O)O)CC3)C2)n1.
What is the InChIKey of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid?
The InChIKey is QBXSQVSQBVIHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-14-12(19-15-8)10-6-11(7-10)16-4-2-9(3-5-16)13(17)18/h9-11H,2-7H2,1H3,(H,17,18).
What are the key properties of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid?
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 69276422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).