3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one

C17H26N2O2S — CID 70783669

IUPAC3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1csc(C)c1CC
InChIInChI=1S/C17H26N2O2S/c1-5-7-8-15-17(21)18(4)9-10-19(15)16(20)14-11-22-12(3)13(14)6-2/h11,15H,5-10H2,1-4H3
InChIKeyKGXJEEYWAFSVKI-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.09
Rot. Bonds5

About 3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one

3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one (PubChem CID 70783669) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one
PubChem CID70783669
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1csc(C)c1CC
InChIInChI=1S/C17H26N2O2S/c1-5-7-8-15-17(21)18(4)9-10-19(15)16(20)14-11-22-12(3)13(14)6-2/h11,15H,5-10H2,1-4H3
InChIKeyKGXJEEYWAFSVKI-UHFFFAOYSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one?
The IUPAC name of 3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one (CID 70783669) is 3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for 3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one is CCCCC1C(=O)N(C)CCN1C(=O)c1csc(C)c1CC.
What is the InChIKey of 3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one?
The InChIKey is KGXJEEYWAFSVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-5-7-8-15-17(21)18(4)9-10-19(15)16(20)14-11-22-12(3)13(14)6-2/h11,15H,5-10H2,1-4H3.
What are the key properties of 3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one?
3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one has a molecular weight of 322.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 70783669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).