[5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

C21H19ClN2O2S — CID 46651235

IUPAC[5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C21H19ClN2O2S/c22-16-7-5-15(6-8-16)19-9-10-20(27-19)21(26)24-13-11-23(12-14-24)17-3-1-2-4-18(17)25/h1-10,25H,11-14H2
InChIKeyCUTSGQSGRMZWFA-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.74
Rot. Bonds3

About [5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

[5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 46651235) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is [5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID46651235
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC Name[5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C21H19ClN2O2S/c22-16-7-5-15(6-8-16)19-9-10-20(27-19)21(26)24-13-11-23(12-14-24)17-3-1-2-4-18(17)25/h1-10,25H,11-14H2
InChIKeyCUTSGQSGRMZWFA-UHFFFAOYSA-N
XLogP4.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46413228
(5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950930
[5-(4-chlorophenyl)thiophen-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46656164
2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 17412087
[5-(4-chlorophenyl)thiophen-2-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646358
[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone
CID 119485306
[4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone
CID 110190687
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 36676092
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 78802706
N-[4-[5-(piperidine-1-carbonyl)thiophen-2-yl]phenyl]benzamide
CID 70036807
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
[4-(2-hydroxyphenyl)piperazin-1-yl]-(5-methyl-4-nitrothiophen-2-yl)methanone
CID 71942699

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 46651235) is [5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is CUTSGQSGRMZWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c22-16-7-5-15(6-8-16)19-9-10-20(27-19)21(26)24-13-11-23(12-14-24)17-3-1-2-4-18(17)25/h1-10,25H,11-14H2.
What are the key properties of [5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
[5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 398.92 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46651235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).