5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole

C20H22N4O — CID 119050129

IUPAC5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole
SMILESc1cnc2c(Cc3noc(C4CCN(C5CC5)CC4)n3)cccc2c1
InChIInChI=1S/C20H22N4O/c1-3-14-5-2-10-21-19(14)16(4-1)13-18-22-20(25-23-18)15-8-11-24(12-9-15)17-6-7-17/h1-5,10,15,17H,6-9,11-13H2
InChIKeyHGQGGUFOTPONBX-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.55
Rot. Bonds4

About 5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole

5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole (PubChem CID 119050129) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole
PubChem CID119050129
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole
SMILESc1cnc2c(Cc3noc(C4CCN(C5CC5)CC4)n3)cccc2c1
InChIInChI=1S/C20H22N4O/c1-3-14-5-2-10-21-19(14)16(4-1)13-18-22-20(25-23-18)15-8-11-24(12-9-15)17-6-7-17/h1-5,10,15,17H,6-9,11-13H2
InChIKeyHGQGGUFOTPONBX-UHFFFAOYSA-N
XLogP3.55
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole (CID 119050129) is 5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole is c1cnc2c(Cc3noc(C4CCN(C5CC5)CC4)n3)cccc2c1.
What is the InChIKey of 5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is HGQGGUFOTPONBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-14-5-2-10-21-19(14)16(4-1)13-18-22-20(25-23-18)15-8-11-24(12-9-15)17-6-7-17/h1-5,10,15,17H,6-9,11-13H2.
What are the key properties of 5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole?
5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 119050129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).