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

C16H22N4O — CID 52946273

IUPAC5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(CCCCN3CCCCC3)n2)c1
InChIInChI=1S/C16H22N4O/c1-3-10-20(11-4-1)12-5-2-8-15-18-16(19-21-15)14-7-6-9-17-13-14/h6-7,9,13H,1-5,8,10-12H2
InChIKeyZXRSYUHCPFSTGF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.94
Rot. Bonds6

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

5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 52946273) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID52946273
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(CCCCN3CCCCC3)n2)c1
InChIInChI=1S/C16H22N4O/c1-3-10-20(11-4-1)12-5-2-8-15-18-16(19-21-15)14-7-6-9-17-13-14/h6-7,9,13H,1-5,8,10-12H2
InChIKeyZXRSYUHCPFSTGF-UHFFFAOYSA-N
XLogP2.94
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Psn-375,963
CID 2875918
1,2,4-Oxadiazole, 3,5-bis(3-pyridinyl)-
CID 577830
3-[3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 3159643
2-(5-Cyclobutyl-1,2,4-oxadiazol-3-yl)pyridine
CID 2742571
4-(5-Cyclohexyl-1,2,4-oxadiazol-3-yl)pyridine
CID 877119
5-[2-(1-Phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56949269
5-(3-Phenylpropyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 705895
5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 5348455
5-(4-Propylcyclohexyl)-3-(3-pyridinyl)-1,2,4-oxadiazole
CID 646685
3-[5-(4-Butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2213323
3-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine
CID 2761146
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 666965

Frequently Asked Questions

What is the IUPAC name of 5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 52946273) is 5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole is c1cncc(-c2noc(CCCCN3CCCCC3)n2)c1.
What is the InChIKey of 5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is ZXRSYUHCPFSTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-10-20(11-4-1)12-5-2-8-15-18-16(19-21-15)14-7-6-9-17-13-14/h6-7,9,13H,1-5,8,10-12H2.
What are the key properties of 5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 286.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperidin-1-ylbutyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 52946273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).