1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one

C18H23N3O2S — CID 154756230

IUPAC1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one
SMILESCc1csc(CCCC(=O)N2CCN(c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C18H23N3O2S/c1-14-13-24-17(19-14)3-2-4-18(23)21-11-9-20(10-12-21)15-5-7-16(22)8-6-15/h5-8,13,22H,2-4,9-12H2,1H3
InChIKeyQQJLMWCWRVFHDE-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.83
Rot. Bonds5

About 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one (PubChem CID 154756230) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one
PubChem CID154756230
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one
SMILESCc1csc(CCCC(=O)N2CCN(c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C18H23N3O2S/c1-14-13-24-17(19-14)3-2-4-18(23)21-11-9-20(10-12-21)15-5-7-16(22)8-6-15/h5-8,13,22H,2-4,9-12H2,1H3
InChIKeyQQJLMWCWRVFHDE-UHFFFAOYSA-N
XLogP2.83
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581
3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110388522
3-bromo-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 113385212
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 112763089
3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110648650
7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one
CID 119851657
N-ethyl-4-(4-fluorophenyl)-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111165484
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 167761680
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
CID 110412266
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115633696

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one?
The IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one (CID 154756230) is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one is Cc1csc(CCCC(=O)N2CCN(c3ccc(O)cc3)CC2)n1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one?
The InChIKey is QQJLMWCWRVFHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-13-24-17(19-14)3-2-4-18(23)21-11-9-20(10-12-21)15-5-7-16(22)8-6-15/h5-8,13,22H,2-4,9-12H2,1H3.
What are the key properties of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one?
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one has a molecular weight of 345.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-methyl-1,3-thiazol-2-yl)butan-1-one is sourced from PubChem (CID 154756230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).