3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one

C16H16N2O2S — CID 110644588

IUPAC3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)Cc2cccs2)C1c1ccccc1
InChIInChI=1S/C16H16N2O2S/c19-14(11-13-7-4-10-21-13)18-9-8-17-16(20)15(18)12-5-2-1-3-6-12/h1-7,10,15H,8-9,11H2,(H,17,20)
InChIKeyBAZLLVGFJJDQFC-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.99
Rot. Bonds3

About 3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one

3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one (PubChem CID 110644588) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one
PubChem CID110644588
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)Cc2cccs2)C1c1ccccc1
InChIInChI=1S/C16H16N2O2S/c19-14(11-13-7-4-10-21-13)18-9-8-17-16(20)15(18)12-5-2-1-3-6-12/h1-7,10,15H,8-9,11H2,(H,17,20)
InChIKeyBAZLLVGFJJDQFC-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110420284
3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 75477067
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one
CID 110619051
(3R)-4-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 100641562
1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-thiophen-2-ylethanone
CID 9107426
cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119958
4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 119801487
1-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)-2-thiophen-2-ylethanone
CID 110316322
4-(2-thiophen-2-ylacetyl)-1,4-diazepan-2-one
CID 62897971
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one?
The IUPAC name of 3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one (CID 110644588) is 3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one.
What is the SMILES notation for 3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one?
The canonical SMILES for 3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one is O=C1NCCN(C(=O)Cc2cccs2)C1c1ccccc1.
What is the InChIKey of 3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one?
The InChIKey is BAZLLVGFJJDQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-14(11-13-7-4-10-21-13)18-9-8-17-16(20)15(18)12-5-2-1-3-6-12/h1-7,10,15H,8-9,11H2,(H,17,20).
What are the key properties of 3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one?
3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one has a molecular weight of 300.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one is sourced from PubChem (CID 110644588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).