2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone

C22H24FNO4 — CID 55648666

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCN(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FNO4/c23-18-2-1-3-19(15-18)26-11-10-24-8-6-16(7-9-24)22(25)17-4-5-20-21(14-17)28-13-12-27-20/h1-5,14-16H,6-13H2
InChIKeyCLZFASMYYIYVGE-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.57
Rot. Bonds6

About 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone

2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone (PubChem CID 55648666) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone
PubChem CID55648666
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCN(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FNO4/c23-18-2-1-3-19(15-18)26-11-10-24-8-6-16(7-9-24)22(25)17-4-5-20-21(14-17)28-13-12-27-20/h1-5,14-16H,6-13H2
InChIKeyCLZFASMYYIYVGE-UHFFFAOYSA-N
XLogP3.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 134051167
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone
CID 17450839
[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 17444810
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]methanone
CID 30797137
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(oxan-2-ylmethyl)piperidin-4-yl]methanone
CID 134051169
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-(3-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]methanone
CID 55514344
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 25474147
N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide
CID 33215602
[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60523709
6-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 26045062
N-(2,6-dichlorophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetamide
CID 26043935

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone (CID 55648666) is 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone is O=C(c1ccc2c(c1)OCCO2)C1CCN(CCOc2cccc(F)c2)CC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone?
The InChIKey is CLZFASMYYIYVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO4/c23-18-2-1-3-19(15-18)26-11-10-24-8-6-16(7-9-24)22(25)17-4-5-20-21(14-17)28-13-12-27-20/h1-5,14-16H,6-13H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone has a molecular weight of 385.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 55648666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).