1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone

C18H20N2O5 — CID 71783185

IUPAC1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN(CC(O)c2ccco2)CC1
InChIInChI=1S/C18H20N2O5/c21-14(15-2-1-9-23-15)11-19-5-7-20(8-6-19)18(22)13-3-4-16-17(10-13)25-12-24-16/h1-4,9-10,14,21H,5-8,11-12H2
InChIKeyXWKNEFGZSJCHFA-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.50
Rot. Bonds4

About 1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone (PubChem CID 71783185) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone
PubChem CID71783185
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN(CC(O)c2ccco2)CC1
InChIInChI=1S/C18H20N2O5/c21-14(15-2-1-9-23-15)11-19-5-7-20(8-6-19)18(22)13-3-4-16-17(10-13)25-12-24-16/h1-4,9-10,14,21H,5-8,11-12H2
InChIKeyXWKNEFGZSJCHFA-UHFFFAOYSA-N
XLogP1.50
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 71783190
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2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone
CID 110368863
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
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1,3-benzodioxol-5-yl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 17105175
1-(1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)ethanone
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1,3-benzodioxol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
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1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
CID 108537024
1,3-benzodioxol-5-yl-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 8642805
1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone (CID 71783185) is 1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCN(CC(O)c2ccco2)CC1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone?
The InChIKey is XWKNEFGZSJCHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c21-14(15-2-1-9-23-15)11-19-5-7-20(8-6-19)18(22)13-3-4-16-17(10-13)25-12-24-16/h1-4,9-10,14,21H,5-8,11-12H2.
What are the key properties of 1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone has a molecular weight of 344.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71783185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).