3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one

C12H18N2OS — CID 82511099

IUPAC3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one
SMILESCc1ccsc1CCC(=O)N1CCNCC1
InChIInChI=1S/C12H18N2OS/c1-10-4-9-16-11(10)2-3-12(15)14-7-5-13-6-8-14/h4,9,13H,2-3,5-8H2,1H3
InChIKeyDUKRYUJUERFKRQ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.42
Rot. Bonds3

About 3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one

3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82511099) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID82511099
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one
SMILESCc1ccsc1CCC(=O)N1CCNCC1
InChIInChI=1S/C12H18N2OS/c1-10-4-9-16-11(10)2-3-12(15)14-7-5-13-6-8-14/h4,9,13H,2-3,5-8H2,1H3
InChIKeyDUKRYUJUERFKRQ-UHFFFAOYSA-N
XLogP1.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
CID 115171574
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337
N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide
CID 90592622
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
1-[7-(2-chlorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 119104458
1-[(3S)-3-tert-butylsulfonylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 97427256
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 122340386
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 122333145
1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one
CID 90593830
1-[7-(2-fluorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 119104424
1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 122344891
3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83931483

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one (CID 82511099) is 3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one is Cc1ccsc1CCC(=O)N1CCNCC1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is DUKRYUJUERFKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10-4-9-16-11(10)2-3-12(15)14-7-5-13-6-8-14/h4,9,13H,2-3,5-8H2,1H3.
What are the key properties of 3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one?
3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 238.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82511099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).