2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone

C15H20N2O3 — CID 63909018

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-10-8-16-9-11(2)17(10)15(18)12-3-4-13-14(7-12)20-6-5-19-13/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3
InChIKeyLPSUAGIJXRGILW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.28
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone

2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone (PubChem CID 63909018) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone
PubChem CID63909018
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-10-8-16-9-11(2)17(10)15(18)12-3-4-13-14(7-12)20-6-5-19-13/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3
InChIKeyLPSUAGIJXRGILW-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66207445
(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909017
1,3-benzodioxol-5-yl-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980042
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-methylpiperazin-1-yl)methanone
CID 119579450
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone chloride
CID 53314046
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
(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 79993755
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 102937454
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79410251

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone (CID 63909018) is 2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone is CC1CNCC(C)N1C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone?
The InChIKey is LPSUAGIJXRGILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-8-16-9-11(2)17(10)15(18)12-3-4-13-14(7-12)20-6-5-19-13/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63909018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).