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

C19H23N3O3 — CID 97217338

IUPAC5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1cc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c2c(c1)OCCO2
InChIInChI=1S/C19H23N3O3/c1-3-14(17-16(5-1)23-9-10-24-17)11-22-8-2-4-15(12-22)18-20-19(25-21-18)13-6-7-13/h1,3,5,13,15H,2,4,6-12H2/t15-/m1/s1
InChIKeyDTFHKAJJUGFFRG-OAHLLOKOSA-N
MW341.41 g/mol
LogP3.10
Rot. Bonds4

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

5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 97217338) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID97217338
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1cc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c2c(c1)OCCO2
InChIInChI=1S/C19H23N3O3/c1-3-14(17-16(5-1)23-9-10-24-17)11-22-8-2-4-15(12-22)18-20-19(25-21-18)13-6-7-13/h1,3,5,13,15H,2,4,6-12H2/t15-/m1/s1
InChIKeyDTFHKAJJUGFFRG-OAHLLOKOSA-N
XLogP3.10
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole (CID 97217338) is 5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole is c1cc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c2c(c1)OCCO2.
What is the InChIKey of 5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is DTFHKAJJUGFFRG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-14(17-16(5-1)23-9-10-24-17)11-22-8-2-4-15(12-22)18-20-19(25-21-18)13-6-7-13/h1,3,5,13,15H,2,4,6-12H2/t15-/m1/s1.
What are the key properties of 5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 341.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97217338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).