2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole

C12H14N4O — CID 86112469

IUPAC2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(N3CCCCC3)o2)ccn1
InChIInChI=1S/C12H14N4O/c1-2-8-16(9-3-1)12-15-14-11(17-12)10-4-6-13-7-5-10/h4-7H,1-3,8-9H2
InChIKeyHUWPKPDLUWICDU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.12
Rot. Bonds2

About 2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole

2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 86112469) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID86112469
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(N3CCCCC3)o2)ccn1
InChIInChI=1S/C12H14N4O/c1-2-8-16(9-3-1)12-15-14-11(17-12)10-4-6-13-7-5-10/h4-7H,1-3,8-9H2
InChIKeyHUWPKPDLUWICDU-UHFFFAOYSA-N
XLogP2.12
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole (CID 86112469) is 2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole is c1cc(-c2nnc(N3CCCCC3)o2)ccn1.
What is the InChIKey of 2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is HUWPKPDLUWICDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-8-16(9-3-1)12-15-14-11(17-12)10-4-6-13-7-5-10/h4-7H,1-3,8-9H2.
What are the key properties of 2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole?
2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 230.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 86112469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).