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

C14H18N4O — CID 55049135

IUPAC5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(CCC3CCCCN3)n2)ccn1
InChIInChI=1S/C14H18N4O/c1-2-8-16-12(3-1)4-5-13-17-14(18-19-13)11-6-9-15-10-7-11/h6-7,9-10,12,16H,1-5,8H2
InChIKeySADNWTAPWAHLDW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.21
Rot. Bonds4

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

5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 55049135) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID55049135
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(CCC3CCCCN3)n2)ccn1
InChIInChI=1S/C14H18N4O/c1-2-8-16-12(3-1)4-5-13-17-14(18-19-13)11-6-9-15-10-7-11/h6-7,9-10,12,16H,1-5,8H2
InChIKeySADNWTAPWAHLDW-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216208
3-(6-methoxypyridazin-3-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 103372842
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole
CID 82626563
5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 667308
3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216210
3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 65421015
(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119840711
N-cyclohexyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51308184
3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 79959987
3-(1-methoxy-2-methylpropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 116702796
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 55049135) is 5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole is c1cc(-c2noc(CCC3CCCCN3)n2)ccn1.
What is the InChIKey of 5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is SADNWTAPWAHLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-8-16-12(3-1)4-5-13-17-14(18-19-13)11-6-9-15-10-7-11/h6-7,9-10,12,16H,1-5,8H2.
What are the key properties of 5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 55049135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).