8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

C24H24N2O6 — CID 164618466

IUPAC8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESO=C(C1CC1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
InChIInChI=1S/C24H24N2O6/c27-16-5-3-14(4-6-16)21-12-20(30)22-19(29)11-18(28)17(23(22)32-21)13-25-7-9-26(10-8-25)24(31)15-1-2-15/h3-6,11-12,15,27-29H,1-2,7-10,13H2
InChIKeyILRIRKDWLSDAHF-UHFFFAOYSA-N
MW436.46 g/mol
LogP2.63
Rot. Bonds4

About 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one (PubChem CID 164618466) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
PubChem CID164618466
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESO=C(C1CC1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
InChIInChI=1S/C24H24N2O6/c27-16-5-3-14(4-6-16)21-12-20(30)22-19(29)11-18(28)17(23(22)32-21)13-25-7-9-26(10-8-25)24(31)15-1-2-15/h3-6,11-12,15,27-29H,1-2,7-10,13H2
InChIKeyILRIRKDWLSDAHF-UHFFFAOYSA-N
XLogP2.63
TPSA114.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one (CID 164618466) is 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one is O=C(C1CC1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1.
What is the InChIKey of 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is ILRIRKDWLSDAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c27-16-5-3-14(4-6-16)21-12-20(30)22-19(29)11-18(28)17(23(22)32-21)13-25-7-9-26(10-8-25)24(31)15-1-2-15/h3-6,11-12,15,27-29H,1-2,7-10,13H2.
What are the key properties of 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 436.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 164618466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).