1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one

C19H24N2O2S — CID 10831313

IUPAC1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C(=O)CCN2CCN(c3ccccc3O)CC2)c(C)s1
InChIInChI=1S/C19H24N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,23H,7-12H2,1-2H3
InChIKeyYSLWZIPXUKUGDR-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.47
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one

1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 10831313) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID10831313
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C(=O)CCN2CCN(c3ccccc3O)CC2)c(C)s1
InChIInChI=1S/C19H24N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,23H,7-12H2,1-2H3
InChIKeyYSLWZIPXUKUGDR-UHFFFAOYSA-N
XLogP3.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (CID 10831313) is 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one is Cc1cc(C(=O)CCN2CCN(c3ccccc3O)CC2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is YSLWZIPXUKUGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,23H,7-12H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 344.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 10831313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).