[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone

C19H22N2O2S — CID 4780261

IUPAC[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESCCc1sc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1C
InChIInChI=1S/C19H22N2O2S/c1-3-16-14(2)13-17(24-16)19(23)21-11-9-20(10-12-21)18(22)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3
InChIKeyKSTOAZXLNACMGH-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.22
Rot. Bonds3

About [4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone

[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone (PubChem CID 4780261) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is [4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
PubChem CID4780261
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESCCc1sc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1C
InChIInChI=1S/C19H22N2O2S/c1-3-16-14(2)13-17(24-16)19(23)21-11-9-20(10-12-21)18(22)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3
InChIKeyKSTOAZXLNACMGH-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone (CID 4780261) is [4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone is CCc1sc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1C.
What is the InChIKey of [4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is KSTOAZXLNACMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-16-14(2)13-17(24-16)19(23)21-11-9-20(10-12-21)18(22)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3.
What are the key properties of [4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone?
[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 342.46 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 4780261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).