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

C15H19NO3 — CID 3156987

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C1COc2ccccc2O1
InChIInChI=1S/C15H19NO3/c1-11-6-4-5-9-16(11)15(17)14-10-18-12-7-2-3-8-13(12)19-14/h2-3,7-8,11,14H,4-6,9-10H2,1H3
InChIKeyRHEOWNLXQVUWGE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.23
Rot. Bonds1

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

2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone (PubChem CID 3156987) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone
PubChem CID3156987
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C1COc2ccccc2O1
InChIInChI=1S/C15H19NO3/c1-11-6-4-5-9-16(11)15(17)14-10-18-12-7-2-3-8-13(12)19-14/h2-3,7-8,11,14H,4-6,9-10H2,1H3
InChIKeyRHEOWNLXQVUWGE-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.23
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
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]-3,4-dimethylimidazolidin-2-one
CID 138621631
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 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone (CID 3156987) is 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)C1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone?
The InChIKey is RHEOWNLXQVUWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-6-4-5-9-16(11)15(17)14-10-18-12-7-2-3-8-13(12)19-14/h2-3,7-8,11,14H,4-6,9-10H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpiperidin-1-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 2.23, 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-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3156987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).