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

C15H26N4O — CID 116807232

IUPAC3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(N3CCCCC3)no2)CCCNC1
InChIInChI=1S/C15H26N4O/c1-2-7-15(8-6-9-16-12-15)13-17-14(18-20-13)19-10-4-3-5-11-19/h16H,2-12H2,1H3
InChIKeyHJIPTAHALYIKES-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds4

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

3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 116807232) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID116807232
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(N3CCCCC3)no2)CCCNC1
InChIInChI=1S/C15H26N4O/c1-2-7-15(8-6-9-16-12-15)13-17-14(18-20-13)19-10-4-3-5-11-19/h16H,2-12H2,1H3
InChIKeyHJIPTAHALYIKES-UHFFFAOYSA-N
XLogP2.48
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807805
5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806582
3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137913
[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116808128
3-(2-methylcyclopropyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65421668
[1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine
CID 116806535
3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65133231
3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116702693
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144433
3-(azepan-1-yl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 116807938
5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 65415962

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole (CID 116807232) is 3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(N3CCCCC3)no2)CCCNC1.
What is the InChIKey of 3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is HJIPTAHALYIKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-7-15(8-6-9-16-12-15)13-17-14(18-20-13)19-10-4-3-5-11-19/h16H,2-12H2,1H3.
What are the key properties of 3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116807232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).