3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole

C11H15N3O — CID 130015814

IUPAC3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESC#CCCc1noc(C2CCNCC2)n1
InChIInChI=1S/C11H15N3O/c1-2-3-4-10-13-11(15-14-10)9-5-7-12-8-6-9/h1,9,12H,3-8H2
InChIKeyZTIVOACNRUTZQN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.10
Rot. Bonds3

About 3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole

3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 130015814) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID130015814
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESC#CCCc1noc(C2CCNCC2)n1
InChIInChI=1S/C11H15N3O/c1-2-3-4-10-13-11(15-14-10)9-5-7-12-8-6-9/h1,9,12H,3-8H2
InChIKeyZTIVOACNRUTZQN-UHFFFAOYSA-N
XLogP1.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole
CID 102548111
3-(ethylsulfanylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 65131299
3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 29045231
3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 113391173
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 115080670
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine;hydrochloride
CID 53433662
3-(oxan-3-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 115080678
3-(2-methylpropyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 130747832
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine
CID 104979533
5-[(4S)-azepan-4-yl]-3-methyl-1,2,4-oxadiazole
CID 97179514
tert-butyl formate;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 174494902
3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 63637202

Frequently Asked Questions

What is the IUPAC name of 3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole (CID 130015814) is 3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole is C#CCCc1noc(C2CCNCC2)n1.
What is the InChIKey of 3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is ZTIVOACNRUTZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-3-4-10-13-11(15-14-10)9-5-7-12-8-6-9/h1,9,12H,3-8H2.
What are the key properties of 3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole?
3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 205.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 130015814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).