1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid

C9H13N3O3 — CID 43441002

IUPAC1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1ncon1
InChIInChI=1S/C9H13N3O3/c13-9(14)7-3-1-2-4-12(7)5-8-10-6-15-11-8/h6-7H,1-5H2,(H,13,14)
InChIKeyWQWDXYZFALZSMG-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.51
Rot. Bonds3

About 1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid

1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 43441002) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid
PubChem CID43441002
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1ncon1
InChIInChI=1S/C9H13N3O3/c13-9(14)7-3-1-2-4-12(7)5-8-10-6-15-11-8/h6-7H,1-5H2,(H,13,14)
InChIKeyWQWDXYZFALZSMG-UHFFFAOYSA-N
XLogP0.51
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid (CID 43441002) is 1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1ncon1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is WQWDXYZFALZSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-9(14)7-3-1-2-4-12(7)5-8-10-6-15-11-8/h6-7H,1-5H2,(H,13,14).
What are the key properties of 1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid?
1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43441002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).