(2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone

C13H20N2OS — CID 64977785

IUPAC(2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone
SMILESCCC1CN(C(=O)c2ccsc2)C(CC)CN1
InChIInChI=1S/C13H20N2OS/c1-3-11-8-15(12(4-2)7-14-11)13(16)10-5-6-17-9-10/h5-6,9,11-12,14H,3-4,7-8H2,1-2H3
InChIKeyPQKFTEPANLZBFS-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.35
Rot. Bonds3

About (2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone

(2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone (PubChem CID 64977785) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone
PubChem CID64977785
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone
SMILESCCC1CN(C(=O)c2ccsc2)C(CC)CN1
InChIInChI=1S/C13H20N2OS/c1-3-11-8-15(12(4-2)7-14-11)13(16)10-5-6-17-9-10/h5-6,9,11-12,14H,3-4,7-8H2,1-2H3
InChIKeyPQKFTEPANLZBFS-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone 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 (2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone (CID 64977785) is (2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone is CCC1CN(C(=O)c2ccsc2)C(CC)CN1.
What is the InChIKey of (2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone?
The InChIKey is PQKFTEPANLZBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-11-8-15(12(4-2)7-14-11)13(16)10-5-6-17-9-10/h5-6,9,11-12,14H,3-4,7-8H2,1-2H3.
What are the key properties of (2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone?
(2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone has a molecular weight of 252.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 64977785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).