1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione

C15H22N2O2S — CID 64879023

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCc1ccc(CN2CC(=O)NC(CC(C)C)C2=O)s1
InChIInChI=1S/C15H22N2O2S/c1-4-11-5-6-12(20-11)8-17-9-14(18)16-13(15(17)19)7-10(2)3/h5-6,10,13H,4,7-9H2,1-3H3,(H,16,18)
InChIKeyQSYOBYTWSDGRDM-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.18
Rot. Bonds5

About 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione

1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64879023) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64879023
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCc1ccc(CN2CC(=O)NC(CC(C)C)C2=O)s1
InChIInChI=1S/C15H22N2O2S/c1-4-11-5-6-12(20-11)8-17-9-14(18)16-13(15(17)19)7-10(2)3/h5-6,10,13H,4,7-9H2,1-3H3,(H,16,18)
InChIKeyQSYOBYTWSDGRDM-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione (CID 64879023) is 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione is CCc1ccc(CN2CC(=O)NC(CC(C)C)C2=O)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is QSYOBYTWSDGRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-11-5-6-12(20-11)8-17-9-14(18)16-13(15(17)19)7-10(2)3/h5-6,10,13H,4,7-9H2,1-3H3,(H,16,18).
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 294.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64879023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).