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

C22H25NO4 — CID 17450839

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H25NO4/c24-22(18-6-7-20-21(16-18)27-15-14-26-20)17-8-10-23(11-9-17)12-13-25-19-4-2-1-3-5-19/h1-7,16-17H,8-15H2
InChIKeyINPXJJSOIOPACZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.43
Rot. Bonds6

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

2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone (PubChem CID 17450839) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone
PubChem CID17450839
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H25NO4/c24-22(18-6-7-20-21(16-18)27-15-14-26-20)17-8-10-23(11-9-17)12-13-25-19-4-2-1-3-5-19/h1-7,16-17H,8-15H2
InChIKeyINPXJJSOIOPACZ-UHFFFAOYSA-N
XLogP3.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.43
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
[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-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methanone
CID 55648666
3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 43065643
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(oxan-2-ylmethyl)piperidin-4-yl]methanone
CID 134051169
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 26044080
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone
CID 71845950
6-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 26045062
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 18142968
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-(3-ethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]methanone
CID 55514344
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 1437915

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone (CID 17450839) is 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone is O=C(c1ccc2c(c1)OCCO2)C1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone?
The InChIKey is INPXJJSOIOPACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c24-22(18-6-7-20-21(16-18)27-15-14-26-20)17-8-10-23(11-9-17)12-13-25-19-4-2-1-3-5-19/h1-7,16-17H,8-15H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-4-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 3.43, 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-phenoxyethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 17450839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).