1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione

C14H16N2O4 — CID 64957687

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C14H16N2O4/c1-2-10-14(18)16(8-13(17)15-10)9-3-4-11-12(7-9)20-6-5-19-11/h3-4,7,10H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyRDKVHKOKQVRIEZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.70
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione (PubChem CID 64957687) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione
PubChem CID64957687
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C14H16N2O4/c1-2-10-14(18)16(8-13(17)15-10)9-3-4-11-12(7-9)20-6-5-19-11/h3-4,7,10H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyRDKVHKOKQVRIEZ-UHFFFAOYSA-N
XLogP0.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-ethylpiperazine-2,5-dione
CID 64959422
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64958384
1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione
CID 115379421
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(hydroxymethyl)piperazin-2-one
CID 117026793
(1R,2S,6S,7S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11903024
1-(5-bromo-2-iodophenyl)-3-ethylpiperazine-2,5-dione
CID 114261326
1-(3,5-dimethoxyphenyl)-3-propylpiperazine-2,5-dione
CID 64956816
(1R,2R,6S,7R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23309432
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine
CID 64954262
3-ethyl-1-methylpiperazine-2,5-dione
CID 64880969
1-cycloheptyl-3-ethylpiperazine-2,5-dione
CID 64960288
3-ethyl-1-(4-fluoro-3-methoxyphenyl)-1,4-diazepane-2,5-dione
CID 114840984

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione (CID 64957687) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione is CCC1NC(=O)CN(c2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione?
The InChIKey is RDKVHKOKQVRIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-10-14(18)16(8-13(17)15-10)9-3-4-11-12(7-9)20-6-5-19-11/h3-4,7,10H,2,5-6,8H2,1H3,(H,15,17).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione has a molecular weight of 276.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64957687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).