1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one

C13H20N2OS — CID 60634783

IUPAC1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
SMILESCN1CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C13H20N2OS/c1-14-7-9-15(10-8-14)13(16)6-2-4-12-5-3-11-17-12/h3,5,11H,2,4,6-10H2,1H3
InChIKeyMYIPRDDSMIUXLY-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.84
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one

1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one (PubChem CID 60634783) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
PubChem CID60634783
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
SMILESCN1CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C13H20N2OS/c1-14-7-9-15(10-8-14)13(16)6-2-4-12-5-3-11-17-12/h3,5,11H,2,4,6-10H2,1H3
InChIKeyMYIPRDDSMIUXLY-UHFFFAOYSA-N
XLogP1.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one 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 1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one (CID 60634783) is 1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one is CN1CCN(C(=O)CCCc2cccs2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is MYIPRDDSMIUXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-14-7-9-15(10-8-14)13(16)6-2-4-12-5-3-11-17-12/h3,5,11H,2,4,6-10H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 252.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 60634783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).