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

C9H13N3O3 — CID 67154666

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid
SMILESCc1nc(C2CCCCN2C(=O)O)no1
InChIInChI=1S/C9H13N3O3/c1-6-10-8(11-15-6)7-4-2-3-5-12(7)9(13)14/h7H,2-5H2,1H3,(H,13,14)
InChIKeyLXQHJRINBQCOIE-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.58
Rot. Bonds1

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

2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid (PubChem CID 67154666) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid
PubChem CID67154666
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid
SMILESCc1nc(C2CCCCN2C(=O)O)no1
InChIInChI=1S/C9H13N3O3/c1-6-10-8(11-15-6)7-4-2-3-5-12(7)9(13)14/h7H,2-5H2,1H3,(H,13,14)
InChIKeyLXQHJRINBQCOIE-UHFFFAOYSA-N
XLogP1.58
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid (CID 67154666) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid is Cc1nc(C2CCCCN2C(=O)O)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid?
The InChIKey is LXQHJRINBQCOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-10-8(11-15-6)7-4-2-3-5-12(7)9(13)14/h7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid?
2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67154666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).