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

C14H18N4O — CID 176515486

IUPAC3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(CCC3CCCNC3)no2)nc1
InChIInChI=1S/C14H18N4O/c1-2-9-16-12(5-1)14-17-13(18-19-14)7-6-11-4-3-8-15-10-11/h1-2,5,9,11,15H,3-4,6-8,10H2
InChIKeyDJWNERZQIVHQHM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.06
Rot. Bonds4

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

3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 176515486) 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-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID176515486
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(CCC3CCCNC3)no2)nc1
InChIInChI=1S/C14H18N4O/c1-2-9-16-12(5-1)14-17-13(18-19-14)7-6-11-4-3-8-15-10-11/h1-2,5,9,11,15H,3-4,6-8,10H2
InChIKeyDJWNERZQIVHQHM-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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Related Compounds

3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 146064536
3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 172909011
3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 68962118
2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine
CID 116898975
5-pyridin-2-yl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727844
5-pyridin-2-yl-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 86820421
5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727845
2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
CID 50988726
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 63221731
5-(2-methyl-1,3-thiazol-4-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 65198751
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
5-(2-fluoro-3-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 81477680

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole (CID 176515486) is 3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(-c2nc(CCC3CCCNC3)no2)nc1.
What is the InChIKey of 3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is DJWNERZQIVHQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-9-16-12(5-1)14-17-13(18-19-14)7-6-11-4-3-8-15-10-11/h1-2,5,9,11,15H,3-4,6-8,10H2.
What are the key properties of 3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
3-(2-piperidin-3-ylethyl)-5-pyridin-2-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-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 176515486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).