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

C15H20N2O3 — CID 2934395

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C15H20N2O3/c1-2-16-7-9-17(10-8-16)15(18)14-11-19-12-5-3-4-6-13(12)20-14/h3-6,14H,2,7-11H2,1H3
InChIKeyDCGYESKXJMGUGW-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.99
Rot. Bonds2

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

2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone (PubChem CID 2934395) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone
PubChem CID2934395
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C15H20N2O3/c1-2-16-7-9-17(10-8-16)15(18)14-11-19-12-5-3-4-6-13(12)20-14/h3-6,14H,2,7-11H2,1H3
InChIKeyDCGYESKXJMGUGW-UHFFFAOYSA-N
XLogP0.99
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone (CID 2934395) is 2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2COc3ccccc3O2)CC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is DCGYESKXJMGUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-16-7-9-17(10-8-16)15(18)14-11-19-12-5-3-4-6-13(12)20-14/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 2934395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).