3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole

C21H26N6O — CID 120841635

IUPAC3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESc1cc(N2CCCCC2)ccc1-c1noc(-c2ccn(C3CCCNC3)n2)n1
InChIInChI=1S/C21H26N6O/c1-2-12-26(13-3-1)17-8-6-16(7-9-17)20-23-21(28-25-20)19-10-14-27(24-19)18-5-4-11-22-15-18/h6-10,14,18,22H,1-5,11-13,15H2
InChIKeyYYVNJSVINGGUAZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.51
Rot. Bonds4

About 3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole

3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 120841635) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID120841635
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESc1cc(N2CCCCC2)ccc1-c1noc(-c2ccn(C3CCCNC3)n2)n1
InChIInChI=1S/C21H26N6O/c1-2-12-26(13-3-1)17-8-6-16(7-9-17)20-23-21(28-25-20)19-10-14-27(24-19)18-5-4-11-22-15-18/h6-10,14,18,22H,1-5,11-13,15H2
InChIKeyYYVNJSVINGGUAZ-UHFFFAOYSA-N
XLogP3.51
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841250
3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893788
3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120838813
N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120835209
3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120841552
3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120833760
3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120836378
2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
CID 167862827
4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 167785933
3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120893864
methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 120842283
ethane;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 143910207

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole (CID 120841635) is 3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole is c1cc(N2CCCCC2)ccc1-c1noc(-c2ccn(C3CCCNC3)n2)n1.
What is the InChIKey of 3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is YYVNJSVINGGUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-2-12-26(13-3-1)17-8-6-16(7-9-17)20-23-21(28-25-20)19-10-14-27(24-19)18-5-4-11-22-15-18/h6-10,14,18,22H,1-5,11-13,15H2.
What are the key properties of 3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 378.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120841635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).