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

C14H17NO3 — CID 3125219

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone
SMILESO=C(C1COc2ccccc2O1)N1CCCCC1
InChIInChI=1S/C14H17NO3/c16-14(15-8-4-1-5-9-15)13-10-17-11-6-2-3-7-12(11)18-13/h2-3,6-7,13H,1,4-5,8-10H2
InChIKeyITLYOOAPSZVURW-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.84
Rot. Bonds1

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

2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone (PubChem CID 3125219) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone
PubChem CID3125219
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone
SMILESO=C(C1COc2ccccc2O1)N1CCCCC1
InChIInChI=1S/C14H17NO3/c16-14(15-8-4-1-5-9-15)13-10-17-11-6-2-3-7-12(11)18-13/h2-3,6-7,13H,1,4-5,8-10H2
InChIKeyITLYOOAPSZVURW-UHFFFAOYSA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperoxan
CID 6040
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
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
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
3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 168280751
1-(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-piperidine-4-carboxylic acid ethyl ester
CID 3151131

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone (CID 3125219) is 2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone is O=C(C1COc2ccccc2O1)N1CCCCC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone?
The InChIKey is ITLYOOAPSZVURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(15-8-4-1-5-9-15)13-10-17-11-6-2-3-7-12(11)18-13/h2-3,6-7,13H,1,4-5,8-10H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone has a molecular weight of 247.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 3125219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).