1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone

C19H18N2O6 — CID 108537024

IUPAC1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(O)cc(O)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H18N2O6/c22-14-7-13(8-15(23)10-14)19(25)21-5-3-20(4-6-21)18(24)12-1-2-16-17(9-12)27-11-26-16/h1-2,7-10,22-23H,3-6,11H2
InChIKeyOFWWDJUFPVKJBR-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.42
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone (PubChem CID 108537024) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
PubChem CID108537024
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(O)cc(O)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H18N2O6/c22-14-7-13(8-15(23)10-14)19(25)21-5-3-20(4-6-21)18(24)12-1-2-16-17(9-12)27-11-26-16/h1-2,7-10,22-23H,3-6,11H2
InChIKeyOFWWDJUFPVKJBR-UHFFFAOYSA-N
XLogP1.42
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(3-hydroxyphenyl)methanone
CID 108548020
1,3-benzodioxol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 37299966
1,3-benzodioxol-5-yl-(4-ethylpiperazin-1-yl)methanone
CID 798684
1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
CID 660185
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone
CID 110368863
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
(3-aminophenyl)-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119703471
1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 36869549
1,3-benzodioxol-5-yl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 110646151
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
1,3-benzodioxol-5-yl-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 36886342
1,3-benzodioxol-5-yl-(4-prop-2-enylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone (CID 108537024) is 1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone is O=C(c1cc(O)cc(O)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is OFWWDJUFPVKJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c22-14-7-13(8-15(23)10-14)19(25)21-5-3-20(4-6-21)18(24)12-1-2-16-17(9-12)27-11-26-16/h1-2,7-10,22-23H,3-6,11H2.
What are the key properties of 1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 370.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 108537024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).