(E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one

C11H14N2OS — CID 70591555

IUPAC(E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccsc1)N1CCNCC1
InChIInChI=1S/C11H14N2OS/c14-11(13-6-4-12-5-7-13)2-1-10-3-8-15-9-10/h1-3,8-9,12H,4-7H2/b2-1+
InChIKeyIEQLUHZUTMIORE-OWOJBTEDSA-N
MW222.31 g/mol
LogP1.19
Rot. Bonds2

About (E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one

(E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one (PubChem CID 70591555) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one
PubChem CID70591555
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccsc1)N1CCNCC1
InChIInChI=1S/C11H14N2OS/c14-11(13-6-4-12-5-7-13)2-1-10-3-8-15-9-10/h1-3,8-9,12H,4-7H2/b2-1+
InChIKeyIEQLUHZUTMIORE-OWOJBTEDSA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione
CID 166628731
(2E,4E)-1-piperidin-1-yl-5-thiophen-3-ylpenta-2,4-dien-1-one
CID 147938711
(2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide
CID 162665088
(E)-N-methyl-3-thiophen-3-ylprop-2-enamide
CID 108476235
3,3,3-trifluoro-1-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 53552169
3,3,3-Trifluoro-1-[4-(3-thiophen-3-ylprop-2-enoyl)piperazin-1-yl]propan-1-one
CID 72150882
3,3,3-trifluoro-1-[4-[(Z)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 97462394
(E)-methyl 4-((3-(thiophen-3-yl)acrylamido)methyl)piperidine-1-carboxylate
CID 49754862
(E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-thiophen-3-ylprop-2-enamide
CID 9943177
1-(Piperazin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one
CID 13100396
(E)-2-methyl-1-piperazin-1-yl-3-thiophen-2-ylprop-2-en-1-one
CID 13100397
(E)-3-(3-methylthiophen-2-yl)-1-piperazin-1-ylprop-2-en-1-one
CID 13100398

Frequently Asked Questions

What is the IUPAC name of (E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one (CID 70591555) is (E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one is O=C(/C=C/c1ccsc1)N1CCNCC1.
What is the InChIKey of (E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one?
The InChIKey is IEQLUHZUTMIORE-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-11(13-6-4-12-5-7-13)2-1-10-3-8-15-9-10/h1-3,8-9,12H,4-7H2/b2-1+.
What are the key properties of (E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one?
(E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one has a molecular weight of 222.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 70591555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).