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

C25H22N2O7 — CID 164617419

IUPAC8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESO=C(c1ccco1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
InChIInChI=1S/C25H22N2O7/c28-16-5-3-15(4-6-16)22-13-20(31)23-19(30)12-18(29)17(24(23)34-22)14-26-7-9-27(10-8-26)25(32)21-2-1-11-33-21/h1-6,11-13,28-30H,7-10,14H2
InChIKeyJJBMOEKQDKFFPF-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.13
Rot. Bonds4

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

8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one (PubChem CID 164617419) has the molecular formula C25H22N2O7 and a molecular weight of 462.46 g/mol. Its IUPAC name is 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
PubChem CID164617419
Molecular FormulaC25H22N2O7
Molecular Weight462.46 g/mol
Exact Mass462.14
IUPAC Name8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESO=C(c1ccco1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
InChIInChI=1S/C25H22N2O7/c28-16-5-3-15(4-6-16)22-13-20(31)23-19(30)12-18(29)17(24(23)34-22)14-26-7-9-27(10-8-26)25(32)21-2-1-11-33-21/h1-6,11-13,28-30H,7-10,14H2
InChIKeyJJBMOEKQDKFFPF-UHFFFAOYSA-N
XLogP3.13
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-[[4-(furan-2-carbonyl)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

Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(4-pyrimidin-5-ylpiperazin-1-yl)methyl]chromen-4-one
CID 164620755
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(morpholin-4-ylmethyl)chromen-4-one
CID 71450402
furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone
CID 24736206
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
furan-2-yl-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 26495653
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 17476381

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one (CID 164617419) is 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one is O=C(c1ccco1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1.
What is the InChIKey of 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is JJBMOEKQDKFFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O7/c28-16-5-3-15(4-6-16)22-13-20(31)23-19(30)12-18(29)17(24(23)34-22)14-26-7-9-27(10-8-26)25(32)21-2-1-11-33-21/h1-6,11-13,28-30H,7-10,14H2.
What are the key properties of 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one?
8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 462.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 164617419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).