2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid

C9H13N3O3 — CID 82470813

IUPAC2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nnc(N2CCCCC2)o1
InChIInChI=1S/C9H13N3O3/c13-8(14)6-7-10-11-9(15-7)12-4-2-1-3-5-12/h1-6H2,(H,13,14)
InChIKeyZUJNZCSOROGSSQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.69
Rot. Bonds3

About 2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid

2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid (PubChem CID 82470813) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid
PubChem CID82470813
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nnc(N2CCCCC2)o1
InChIInChI=1S/C9H13N3O3/c13-8(14)6-7-10-11-9(15-7)12-4-2-1-3-5-12/h1-6H2,(H,13,14)
InChIKeyZUJNZCSOROGSSQ-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid?
The IUPAC name of 2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid (CID 82470813) is 2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid is O=C(O)Cc1nnc(N2CCCCC2)o1.
What is the InChIKey of 2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid?
The InChIKey is ZUJNZCSOROGSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-8(14)6-7-10-11-9(15-7)12-4-2-1-3-5-12/h1-6H2,(H,13,14).
What are the key properties of 2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid?
2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid is sourced from PubChem (CID 82470813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).