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

C20H17F2NO4 — CID 24958837

IUPAC(2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cccc2c1OC(F)(F)O2)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C20H17F2NO4/c21-20(22)26-16-7-3-5-14(17(16)27-20)18(24)23-10-8-19(9-11-23)15-6-2-1-4-13(15)12-25-19/h1-7H,8-12H2
InChIKeyCBFVSYBEGXVQCW-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.67
Rot. Bonds1

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

(2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone (PubChem CID 24958837) has the molecular formula C20H17F2NO4 and a molecular weight of 373.36 g/mol. Its IUPAC name is (2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
PubChem CID24958837
Molecular FormulaC20H17F2NO4
Molecular Weight373.36 g/mol
Exact Mass373.11
IUPAC Name(2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cccc2c1OC(F)(F)O2)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C20H17F2NO4/c21-20(22)26-16-7-3-5-14(17(16)27-20)18(24)23-10-8-19(9-11-23)15-6-2-1-4-13(15)12-25-19/h1-7H,8-12H2
InChIKeyCBFVSYBEGXVQCW-UHFFFAOYSA-N
XLogP3.67
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-4-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone
CID 24959191
[4-(dimethylamino)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 78322536
1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone
CID 25210797
(4-fluoro-3-methylphenyl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 154839329
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895
9-(2,2-difluoro-1,3-benzodioxole-4-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
CID 171907209
N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide
CID 90350182
[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 90350252
[4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 78322224
2-(2-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)sulfanylacetic acid
CID 70254343
2,3-dihydro-1,4-benzodioxin-5-yl(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 135118300
2-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)benzonitrile
CID 90350317

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone (CID 24958837) is (2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone is O=C(c1cccc2c1OC(F)(F)O2)N1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of (2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is CBFVSYBEGXVQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO4/c21-20(22)26-16-7-3-5-14(17(16)27-20)18(24)23-10-8-19(9-11-23)15-6-2-1-4-13(15)12-25-19/h1-7H,8-12H2.
What are the key properties of (2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?
(2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 373.36 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1,3-benzodioxol-4-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 24958837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).