3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one

C20H20N2O3S — CID 7490241

IUPAC3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one
SMILESCOc1ccc2scc(N3CCN(c4ccc(O)cc4)CC3)c(=O)c2c1
InChIInChI=1S/C20H20N2O3S/c1-25-16-6-7-19-17(12-16)20(24)18(13-26-19)22-10-8-21(9-11-22)14-2-4-15(23)5-3-14/h2-7,12-13,23H,8-11H2,1H3
InChIKeyMBIRYBIJZBEFEM-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.30
Rot. Bonds3

About 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one

3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one (PubChem CID 7490241) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one
PubChem CID7490241
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one
SMILESCOc1ccc2scc(N3CCN(c4ccc(O)cc4)CC3)c(=O)c2c1
InChIInChI=1S/C20H20N2O3S/c1-25-16-6-7-19-17(12-16)20(24)18(13-26-19)22-10-8-21(9-11-22)14-2-4-15(23)5-3-14/h2-7,12-13,23H,8-11H2,1H3
InChIKeyMBIRYBIJZBEFEM-UHFFFAOYSA-N
XLogP3.30
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-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

6-methoxy-3-(4-methylpiperazin-1-yl)thiochromen-4-one
CID 7552771
5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol
CID 159990701
6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one
CID 7162581
6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one
CID 7490245
ethyl 4-(6-methyl-4-oxothiochromen-3-yl)piperazine-1-carboxylate
CID 7216443
6-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one
CID 7490204
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2672032
ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol
CID 90725026
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 162403470

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one?
The IUPAC name of 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one (CID 7490241) is 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one.
What is the SMILES notation for 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one?
The canonical SMILES for 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one is COc1ccc2scc(N3CCN(c4ccc(O)cc4)CC3)c(=O)c2c1.
What is the InChIKey of 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one?
The InChIKey is MBIRYBIJZBEFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-25-16-6-7-19-17(12-16)20(24)18(13-26-19)22-10-8-21(9-11-22)14-2-4-15(23)5-3-14/h2-7,12-13,23H,8-11H2,1H3.
What are the key properties of 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one?
3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one has a molecular weight of 368.46 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one is sourced from PubChem (CID 7490241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).