3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole

C14H18N4O — CID 172909011

IUPAC3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2nc(CCC3CCCNC3)no2)c1
InChIInChI=1S/C14H18N4O/c1-3-11(9-15-7-1)5-6-13-17-14(19-18-13)12-4-2-8-16-10-12/h2,4,8,10-11,15H,1,3,5-7,9H2
InChIKeyMMYQVGNVZSUYIG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.06
Rot. Bonds4

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

3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 172909011) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID172909011
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2nc(CCC3CCCNC3)no2)c1
InChIInChI=1S/C14H18N4O/c1-3-11(9-15-7-1)5-6-13-17-14(19-18-13)12-4-2-8-16-10-12/h2,4,8,10-11,15H,1,3,5-7,9H2
InChIKeyMMYQVGNVZSUYIG-UHFFFAOYSA-N
XLogP2.06
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole (CID 172909011) is 3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole is c1cncc(-c2nc(CCC3CCCNC3)no2)c1.
What is the InChIKey of 3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is MMYQVGNVZSUYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-11(9-15-7-1)5-6-13-17-14(19-18-13)12-4-2-8-16-10-12/h2,4,8,10-11,15H,1,3,5-7,9H2.
What are the key properties of 3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 172909011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).