1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one

C13H20N2OS — CID 115273147

IUPAC1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
SMILESCC1(C)CNCCN1C(=O)CCc1cccs1
InChIInChI=1S/C13H20N2OS/c1-13(2)10-14-7-8-15(13)12(16)6-5-11-4-3-9-17-11/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyMMWAGFSUYANHHB-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.89
Rot. Bonds3

About 1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one

1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one (PubChem CID 115273147) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
PubChem CID115273147
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
SMILESCC1(C)CNCCN1C(=O)CCc1cccs1
InChIInChI=1S/C13H20N2OS/c1-13(2)10-14-7-8-15(13)12(16)6-5-11-4-3-9-17-11/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyMMWAGFSUYANHHB-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one (CID 115273147) is 1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one is CC1(C)CNCCN1C(=O)CCc1cccs1.
What is the InChIKey of 1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is MMWAGFSUYANHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2)10-14-7-8-15(13)12(16)6-5-11-4-3-9-17-11/h3-4,9,14H,5-8,10H2,1-2H3.
What are the key properties of 1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one?
1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 252.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 115273147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).