3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole

C15H25N3O2 — CID 86820529

IUPAC3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESC1CCC(c2nc(CCOCC3CCCC3)no2)NC1
InChIInChI=1S/C15H25N3O2/c1-2-6-12(5-1)11-19-10-8-14-17-15(20-18-14)13-7-3-4-9-16-13/h12-13,16H,1-11H2
InChIKeyBAHJLSHXNNIUIQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.63
Rot. Bonds6

About 3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole

3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 86820529) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID86820529
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESC1CCC(c2nc(CCOCC3CCCC3)no2)NC1
InChIInChI=1S/C15H25N3O2/c1-2-6-12(5-1)11-19-10-8-14-17-15(20-18-14)13-7-3-4-9-16-13/h12-13,16H,1-11H2
InChIKeyBAHJLSHXNNIUIQ-UHFFFAOYSA-N
XLogP2.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole (CID 86820529) is 3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole is C1CCC(c2nc(CCOCC3CCCC3)no2)NC1.
What is the InChIKey of 3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is BAHJLSHXNNIUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-6-12(5-1)11-19-10-8-14-17-15(20-18-14)13-7-3-4-9-16-13/h12-13,16H,1-11H2.
What are the key properties of 3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole?
3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 279.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylmethoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86820529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).