1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone

C15H18N2O4 — CID 24981019

IUPAC1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C15H18N2O4/c1-11(18)16-6-8-17(9-7-16)15(19)14-10-20-12-4-2-3-5-13(12)21-14/h2-5,14H,6-10H2,1H3
InChIKeyNVNNNQIRDFMOGX-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.52
Rot. Bonds1

About 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 24981019) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID24981019
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C15H18N2O4/c1-11(18)16-6-8-17(9-7-16)15(19)14-10-20-12-4-2-3-5-13(12)21-14/h2-5,14H,6-10H2,1H3
InChIKeyNVNNNQIRDFMOGX-UHFFFAOYSA-N
XLogP0.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Piperoxan
CID 6040
1,4-Bis((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)piperazine
CID 94342
N-1,4-Benzodioxane-2-carbonyl piperazine
CID 2735449
3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 138621471
2-[3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-2-oxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 138621533
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621554
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
CID 138621689
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (2-hydroxy-ethyl)-amide
CID 585104
2-(Isopropyl(methyl)amino)ethyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate hydrochloride
CID 2893826
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone (CID 24981019) is 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2COc3ccccc3O2)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is NVNNNQIRDFMOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-11(18)16-6-8-17(9-7-16)15(19)14-10-20-12-4-2-3-5-13(12)21-14/h2-5,14H,6-10H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 290.32 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 24981019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).