1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone

C15H18N2O4 — CID 24684685

IUPAC1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C15H18N2O4/c1-11(18)16-4-6-17(7-5-16)15(19)12-2-3-13-14(10-12)21-9-8-20-13/h2-3,10H,4-9H2,1H3
InChIKeyQFBKHJGMNPDRHQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.76
Rot. Bonds1

About 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone

1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone (PubChem CID 24684685) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone
PubChem CID24684685
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C15H18N2O4/c1-11(18)16-4-6-17(7-5-16)15(19)12-2-3-13-14(10-12)21-9-8-20-13/h2-3,10H,4-9H2,1H3
InChIKeyQFBKHJGMNPDRHQ-UHFFFAOYSA-N
XLogP0.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CX-546
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RO 116 1148
CID 44391713
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CID 673609

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone (CID 24684685) is 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is QFBKHJGMNPDRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-11(18)16-4-6-17(7-5-16)15(19)12-2-3-13-14(10-12)21-9-8-20-13/h2-3,10H,4-9H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 290.32 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 24684685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).