1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone

C20H19NO4 — CID 24959191

IUPAC1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1cccc2c1OCO2)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C20H19NO4/c22-19(15-5-3-7-17-18(15)24-13-23-17)21-10-8-20(9-11-21)16-6-2-1-4-14(16)12-25-20/h1-7H,8-13H2
InChIKeyYQULIJPJWZAEEZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.08
Rot. Bonds1

About 1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone

1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone (PubChem CID 24959191) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone
PubChem CID24959191
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1cccc2c1OCO2)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C20H19NO4/c22-19(15-5-3-7-17-18(15)24-13-23-17)21-10-8-20(9-11-21)16-6-2-1-4-14(16)12-25-20/h1-7H,8-13H2
InChIKeyYQULIJPJWZAEEZ-UHFFFAOYSA-N
XLogP3.08
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of 1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone (CID 24959191) is 1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone is O=C(c1cccc2c1OCO2)N1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is YQULIJPJWZAEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-19(15-5-3-7-17-18(15)24-13-23-17)21-10-8-20(9-11-21)16-6-2-1-4-14(16)12-25-20/h1-7H,8-13H2.
What are the key properties of 1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone?
1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 24959191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).