1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one

C17H23NO3 — CID 79397801

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(CCc2ccc3c(c2)OCCO3)C1C
InChIInChI=1S/C17H23NO3/c1-12-13(2)18(8-6-15(12)19)7-5-14-3-4-16-17(11-14)21-10-9-20-16/h3-4,11-13H,5-10H2,1-2H3
InChIKeyRIJSGHBKEPVGGH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.30
Rot. Bonds3

About 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one (PubChem CID 79397801) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one
PubChem CID79397801
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(CCc2ccc3c(c2)OCCO3)C1C
InChIInChI=1S/C17H23NO3/c1-12-13(2)18(8-6-15(12)19)7-5-14-3-4-16-17(11-14)21-10-9-20-16/h3-4,11-13H,5-10H2,1-2H3
InChIKeyRIJSGHBKEPVGGH-UHFFFAOYSA-N
XLogP2.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-2-one
CID 63788049
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383581
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione
CID 63788370
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine
CID 144811231
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione
CID 79777063
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1,4-diazepane
CID 64940363
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one
CID 167940830
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-3-amine
CID 43315124
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one
CID 3804922
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 94021508

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one (CID 79397801) is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one is CC1C(=O)CCN(CCc2ccc3c(c2)OCCO3)C1C.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one?
The InChIKey is RIJSGHBKEPVGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-13(2)18(8-6-15(12)19)7-5-14-3-4-16-17(11-14)21-10-9-20-16/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one?
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 79397801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).