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

C13H16N2O3 — CID 2735449

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone
SMILESO=C(C1COc2ccccc2O1)N1CCNCC1
InChIInChI=1S/C13H16N2O3/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2
InChIKeyFLUPDJNTYCSBJZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.26
Rot. Bonds1

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

2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone (PubChem CID 2735449) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone
PubChem CID2735449
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone
SMILESO=C(C1COc2ccccc2O1)N1CCNCC1
InChIInChI=1S/C13H16N2O3/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2
InChIKeyFLUPDJNTYCSBJZ-UHFFFAOYSA-N
XLogP0.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 138621471
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]imidazolidin-2-one
CID 138621509
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
CID 138621689
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-5-methylimidazolidin-2-one
CID 138622090
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (2-hydroxy-ethyl)-amide
CID 585104
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide
CID 3135701
ethyl N-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)glycinate
CID 3756954
N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 425322
1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-4-methylpiperidine
CID 2843517
1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperidine
CID 3125219
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4-methylimidazolidin-2-one
CID 168273975
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 4779699

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone (CID 2735449) is 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone is O=C(C1COc2ccccc2O1)N1CCNCC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone?
The InChIKey is FLUPDJNTYCSBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone has a molecular weight of 248.28 g/mol, XLogP of 0.26, 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-3-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 2735449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).