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

C14H17NO3 — CID 2890

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)N1CCCCC1
InChIInChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
InChIKeyLJUNPHMOGNFFOS-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.08
Rot. Bonds1

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

2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone (PubChem CID 2890) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
PubChem CID2890
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)N1CCCCC1
InChIInChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
InChIKeyLJUNPHMOGNFFOS-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-4-yl]methanone
CID 31611555
1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806206
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone chloride
CID 53314046
cyclobutyl-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110809302
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808457
N-cyclopentyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813382
ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-3-carboxylate
CID 25163445
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 86313906
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816095
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(piperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone (CID 2890) is 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone is O=C(c1ccc2c(c1)OCCO2)N1CCCCC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone?
The InChIKey is LJUNPHMOGNFFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone has a molecular weight of 247.29 g/mol, XLogP of 2.08, 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-6-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 2890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).