3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione

C16H16N2O2S — CID 64881353

IUPAC3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCC1(c2ccccc2)NC(=O)CN(Cc2cccs2)C1=O
InChIInChI=1S/C16H16N2O2S/c1-16(12-6-3-2-4-7-12)15(20)18(11-14(19)17-16)10-13-8-5-9-21-13/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyQKUNGOYFWICRPZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.12
Rot. Bonds3

About 3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione

3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64881353) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
PubChem CID64881353
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCC1(c2ccccc2)NC(=O)CN(Cc2cccs2)C1=O
InChIInChI=1S/C16H16N2O2S/c1-16(12-6-3-2-4-7-12)15(20)18(11-14(19)17-16)10-13-8-5-9-21-13/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyQKUNGOYFWICRPZ-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (CID 64881353) is 3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is CC1(c2ccccc2)NC(=O)CN(Cc2cccs2)C1=O.
What is the InChIKey of 3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is QKUNGOYFWICRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-16(12-6-3-2-4-7-12)15(20)18(11-14(19)17-16)10-13-8-5-9-21-13/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of 3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 300.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64881353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).