4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione

C18H20N2O2S — CID 53188429

IUPAC4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione
SMILESCCN1C(=O)CN(Cc2ccc(C)cc2)C(=O)C1c1cccs1
InChIInChI=1S/C18H20N2O2S/c1-3-20-16(21)12-19(11-14-8-6-13(2)7-9-14)18(22)17(20)15-5-4-10-23-15/h4-10,17H,3,11-12H2,1-2H3
InChIKeyXRGBBQDNELDHDI-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.99
Rot. Bonds4

About 4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione

4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione (PubChem CID 53188429) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione
PubChem CID53188429
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione
SMILESCCN1C(=O)CN(Cc2ccc(C)cc2)C(=O)C1c1cccs1
InChIInChI=1S/C18H20N2O2S/c1-3-20-16(21)12-19(11-14-8-6-13(2)7-9-14)18(22)17(20)15-5-4-10-23-15/h4-10,17H,3,11-12H2,1-2H3
InChIKeyXRGBBQDNELDHDI-UHFFFAOYSA-N
XLogP2.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione?
The IUPAC name of 4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione (CID 53188429) is 4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione?
The canonical SMILES for 4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione is CCN1C(=O)CN(Cc2ccc(C)cc2)C(=O)C1c1cccs1.
What is the InChIKey of 4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione?
The InChIKey is XRGBBQDNELDHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-20-16(21)12-19(11-14-8-6-13(2)7-9-14)18(22)17(20)15-5-4-10-23-15/h4-10,17H,3,11-12H2,1-2H3.
What are the key properties of 4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione?
4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione has a molecular weight of 328.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-methylphenyl)methyl]-3-thiophen-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 53188429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).