3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one

C12H18N2OS — CID 3063268

IUPAC3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
SMILESCN1CCN(CCC(=O)c2cccs2)CC1
InChIInChI=1S/C12H18N2OS/c1-13-6-8-14(9-7-13)5-4-11(15)12-3-2-10-16-12/h2-3,10H,4-9H2,1H3
InChIKeyUJFUMSCHEBXVMI-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.57
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one

3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one (PubChem CID 3063268) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
PubChem CID3063268
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
SMILESCN1CCN(CCC(=O)c2cccs2)CC1
InChIInChI=1S/C12H18N2OS/c1-13-6-8-14(9-7-13)5-4-11(15)12-3-2-10-16-12/h2-3,10H,4-9H2,1H3
InChIKeyUJFUMSCHEBXVMI-UHFFFAOYSA-N
XLogP1.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one (CID 3063268) is 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one is CN1CCN(CCC(=O)c2cccs2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one?
The InChIKey is UJFUMSCHEBXVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-13-6-8-14(9-7-13)5-4-11(15)12-3-2-10-16-12/h2-3,10H,4-9H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one?
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one has a molecular weight of 238.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 3063268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).