1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one

C14H20N2O2S — CID 110665574

IUPAC1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCC(=O)CN1CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C14H20N2O2S/c1-12(17)11-15-6-8-16(9-7-15)14(18)5-4-13-3-2-10-19-13/h2-3,10H,4-9,11H2,1H3
InChIKeyQIAFZWHAIIVBIL-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.41
Rot. Bonds5

About 1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one

1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 110665574) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID110665574
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCC(=O)CN1CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C14H20N2O2S/c1-12(17)11-15-6-8-16(9-7-15)14(18)5-4-13-3-2-10-19-13/h2-3,10H,4-9,11H2,1H3
InChIKeyQIAFZWHAIIVBIL-UHFFFAOYSA-N
XLogP1.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78788636
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95751398
1-(4-benzylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 78774501
1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110638111
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110868327
1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95325652
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420377
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 110740009
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95758954
3-(3-fluorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110604610

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 110665574) is 1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one is CC(=O)CN1CCN(C(=O)CCc2cccs2)CC1.
What is the InChIKey of 1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is QIAFZWHAIIVBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-12(17)11-15-6-8-16(9-7-15)14(18)5-4-13-3-2-10-19-13/h2-3,10H,4-9,11H2,1H3.
What are the key properties of 1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 280.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 110665574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).