5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole

C20H25N3O2 — CID 71928571

IUPAC5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCOC2CN1CCCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C20H25N3O2/c1-2-6-17-14(4-1)9-11-24-18(17)13-23-10-3-5-16(12-23)19-21-20(25-22-19)15-7-8-15/h1-2,4,6,15-16,18H,3,5,7-13H2
InChIKeyVUQBEWPIJZMYRZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.44
Rot. Bonds4

About 5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 71928571) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID71928571
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCOC2CN1CCCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C20H25N3O2/c1-2-6-17-14(4-1)9-11-24-18(17)13-23-10-3-5-16(12-23)19-21-20(25-22-19)15-7-8-15/h1-2,4,6,15-16,18H,3,5,7-13H2
InChIKeyVUQBEWPIJZMYRZ-UHFFFAOYSA-N
XLogP3.44
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole (CID 71928571) is 5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole is c1ccc2c(c1)CCOC2CN1CCCC(c2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is VUQBEWPIJZMYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-6-17-14(4-1)9-11-24-18(17)13-23-10-3-5-16(12-23)19-21-20(25-22-19)15-7-8-15/h1-2,4,6,15-16,18H,3,5,7-13H2.
What are the key properties of 5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 339.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 71928571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).