piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone

C15H16N2OS — CID 39371882

IUPACpiperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
SMILESO=C(c1cccc(-c2cccs2)c1)N1CCNCC1
InChIInChI=1S/C15H16N2OS/c18-15(17-8-6-16-7-9-17)13-4-1-3-12(11-13)14-5-2-10-19-14/h1-5,10-11,16H,6-9H2
InChIKeyHQCQNDUOEHMCKL-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.46
Rot. Bonds2

About piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone

piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone (PubChem CID 39371882) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
PubChem CID39371882
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Namepiperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
SMILESO=C(c1cccc(-c2cccs2)c1)N1CCNCC1
InChIInChI=1S/C15H16N2OS/c18-15(17-8-6-16-7-9-17)13-4-1-3-12(11-13)14-5-2-10-19-14/h1-5,10-11,16H,6-9H2
InChIKeyHQCQNDUOEHMCKL-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
CID 143900231
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712
piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 46321655
[3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 53484622
5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446499
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde
CID 175780722
(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone
CID 162644748
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone?
The IUPAC name of piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone (CID 39371882) is piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone?
The canonical SMILES for piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone is O=C(c1cccc(-c2cccs2)c1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone?
The InChIKey is HQCQNDUOEHMCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(17-8-6-16-7-9-17)13-4-1-3-12(11-13)14-5-2-10-19-14/h1-5,10-11,16H,6-9H2.
What are the key properties of piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone?
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone has a molecular weight of 272.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 39371882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).