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

C19H25N3O3 — CID 45273252

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3CCNCC3)n2)cc1OC1CCCC1
InChIInChI=1S/C19H25N3O3/c1-23-16-7-6-14(12-17(16)24-15-4-2-3-5-15)18-21-19(25-22-18)13-8-10-20-11-9-13/h6-7,12-13,15,20H,2-5,8-11H2,1H3
InChIKeyKJQGYDZGHIUKBB-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.53
Rot. Bonds5

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

3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 45273252) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID45273252
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3CCNCC3)n2)cc1OC1CCCC1
InChIInChI=1S/C19H25N3O3/c1-23-16-7-6-14(12-17(16)24-15-4-2-3-5-15)18-21-19(25-22-18)13-8-10-20-11-9-13/h6-7,12-13,15,20H,2-5,8-11H2,1H3
InChIKeyKJQGYDZGHIUKBB-UHFFFAOYSA-N
XLogP3.53
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 45273252) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is COc1ccc(-c2noc(C3CCNCC3)n2)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is KJQGYDZGHIUKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-23-16-7-6-14(12-17(16)24-15-4-2-3-5-15)18-21-19(25-22-18)13-8-10-20-11-9-13/h6-7,12-13,15,20H,2-5,8-11H2,1H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 343.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 45273252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).