1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one

C11H16N2OS — CID 116559574

IUPAC1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)CN1CCNCC1
InChIInChI=1S/C11H16N2OS/c14-11(7-10-1-6-15-9-10)8-13-4-2-12-3-5-13/h1,6,9,12H,2-5,7-8H2
InChIKeySNACIEQPFAKRMT-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.76
Rot. Bonds4

About 1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one

1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one (PubChem CID 116559574) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one
PubChem CID116559574
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)CN1CCNCC1
InChIInChI=1S/C11H16N2OS/c14-11(7-10-1-6-15-9-10)8-13-4-2-12-3-5-13/h1,6,9,12H,2-5,7-8H2
InChIKeySNACIEQPFAKRMT-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
CID 116559976
1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 125022040
1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-one
CID 82302670
1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
CID 116582371
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone
CID 116564805
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one
CID 82511106
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one (CID 116559574) is 1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one is O=C(Cc1ccsc1)CN1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one?
The InChIKey is SNACIEQPFAKRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-11(7-10-1-6-15-9-10)8-13-4-2-12-3-5-13/h1,6,9,12H,2-5,7-8H2.
What are the key properties of 1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one?
1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one has a molecular weight of 224.33 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 116559574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).