2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole

C16H20ClN3O2 — CID 72839343

IUPAC2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(N2CCC(Oc3ccccc3Cl)CC2)o1
InChIInChI=1S/C16H20ClN3O2/c1-2-5-15-18-19-16(22-15)20-10-8-12(9-11-20)21-14-7-4-3-6-13(14)17/h3-4,6-7,12H,2,5,8-11H2,1H3
InChIKeyKGXLIPZXGBUITK-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.72
Rot. Bonds5

About 2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole

2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole (PubChem CID 72839343) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
PubChem CID72839343
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(N2CCC(Oc3ccccc3Cl)CC2)o1
InChIInChI=1S/C16H20ClN3O2/c1-2-5-15-18-19-16(22-15)20-10-8-12(9-11-20)21-14-7-4-3-6-13(14)17/h3-4,6-7,12H,2,5,8-11H2,1H3
InChIKeyKGXLIPZXGBUITK-UHFFFAOYSA-N
XLogP3.72
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole (CID 72839343) is 2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole is CCCc1nnc(N2CCC(Oc3ccccc3Cl)CC2)o1.
What is the InChIKey of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole?
The InChIKey is KGXLIPZXGBUITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-2-5-15-18-19-16(22-15)20-10-8-12(9-11-20)21-14-7-4-3-6-13(14)17/h3-4,6-7,12H,2,5,8-11H2,1H3.
What are the key properties of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole?
2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole has a molecular weight of 321.81 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 72839343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).