2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone

C15H20N2O3 — CID 79506782

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2cccc3c2OCCO3)CCN1
InChIInChI=1S/C15H20N2O3/c1-15(2)10-17(7-6-16-15)14(18)11-4-3-5-12-13(11)20-9-8-19-12/h3-5,16H,6-10H2,1-2H3
InChIKeyJMUPWWVLIOSGTA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.28
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone

2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone (PubChem CID 79506782) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone
PubChem CID79506782
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2cccc3c2OCCO3)CCN1
InChIInChI=1S/C15H20N2O3/c1-15(2)10-17(7-6-16-15)14(18)11-4-3-5-12-13(11)20-9-8-19-12/h3-5,16H,6-10H2,1-2H3
InChIKeyJMUPWWVLIOSGTA-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone (CID 79506782) is 2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone is CC1(C)CN(C(=O)c2cccc3c2OCCO3)CCN1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is JMUPWWVLIOSGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)10-17(7-6-16-15)14(18)11-4-3-5-12-13(11)20-9-8-19-12/h3-5,16H,6-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone?
2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 79506782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).