6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

C16H19NO3 — CID 116573161

IUPAC6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CC12CCNCC2
InChIInChI=1S/C16H19NO3/c18-15(12-10-16(12)3-5-17-6-4-16)11-1-2-13-14(9-11)20-8-7-19-13/h1-2,9,12,17H,3-8,10H2
InChIKeySUTOMATZEAYVEP-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.03
Rot. Bonds2

About 6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (PubChem CID 116573161) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
PubChem CID116573161
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CC12CCNCC2
InChIInChI=1S/C16H19NO3/c18-15(12-10-16(12)3-5-17-6-4-16)11-1-2-13-14(9-11)20-8-7-19-13/h1-2,9,12,17H,3-8,10H2
InChIKeySUTOMATZEAYVEP-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone
CID 116567636
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-4-yl)methanone
CID 24688672
6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone
CID 116573257
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
(2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)cyclopropane-1-carboxylic acid
CID 144816963
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanone
CID 64866803
2-(1-aminocyclohexyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 116579044
2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone
CID 116569748
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 71642366
2,3-dihydro-1,4-benzodioxin-6-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462739
cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 43159932

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (CID 116573161) is 6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is O=C(c1ccc2c(c1)OCCO2)C1CC12CCNCC2.
What is the InChIKey of 6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The InChIKey is SUTOMATZEAYVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(12-10-16(12)3-5-17-6-4-16)11-1-2-13-14(9-11)20-8-7-19-13/h1-2,9,12,17H,3-8,10H2.
What are the key properties of 6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone has a molecular weight of 273.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is sourced from PubChem (CID 116573161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).