2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole

C17H23N3O2 — CID 72877676

IUPAC2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(N2CCC(OCc3ccccc3)CC2)o1
InChIInChI=1S/C17H23N3O2/c1-2-6-16-18-19-17(22-16)20-11-9-15(10-12-20)21-13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyAKCPMRXFSQIJRD-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.21
Rot. Bonds6

About 2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole

2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole (PubChem CID 72877676) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole
PubChem CID72877676
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(N2CCC(OCc3ccccc3)CC2)o1
InChIInChI=1S/C17H23N3O2/c1-2-6-16-18-19-17(22-16)20-11-9-15(10-12-20)21-13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyAKCPMRXFSQIJRD-UHFFFAOYSA-N
XLogP3.21
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole (CID 72877676) is 2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole is CCCc1nnc(N2CCC(OCc3ccccc3)CC2)o1.
What is the InChIKey of 2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole?
The InChIKey is AKCPMRXFSQIJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-6-16-18-19-17(22-16)20-11-9-15(10-12-20)21-13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3.
What are the key properties of 2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole?
2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxypiperidin-1-yl)-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 72877676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).