5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

C17H30N4O — CID 47053785

IUPAC5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN2CCC(N3CCCCC3)CC2)no1
InChIInChI=1S/C17H30N4O/c1-17(2,3)16-18-15(19-22-16)13-20-11-7-14(8-12-20)21-9-5-4-6-10-21/h14H,4-13H2,1-3H3
InChIKeyHUPLVEFLEPEVOC-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.82
Rot. Bonds3

About 5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 47053785) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID47053785
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN2CCC(N3CCCCC3)CC2)no1
InChIInChI=1S/C17H30N4O/c1-17(2,3)16-18-15(19-22-16)13-20-11-7-14(8-12-20)21-9-5-4-6-10-21/h14H,4-13H2,1-3H3
InChIKeyHUPLVEFLEPEVOC-UHFFFAOYSA-N
XLogP2.82
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 47053785) is 5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is CC(C)(C)c1nc(CN2CCC(N3CCCCC3)CC2)no1.
What is the InChIKey of 5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is HUPLVEFLEPEVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-17(2,3)16-18-15(19-22-16)13-20-11-7-14(8-12-20)21-9-5-4-6-10-21/h14H,4-13H2,1-3H3.
What are the key properties of 5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 306.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47053785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).