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

C11H14N2OS — CID 13100396

IUPAC(E)-1-piperazin-1-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCNCC1
InChIInChI=1S/C11H14N2OS/c14-11(13-7-5-12-6-8-13)4-3-10-2-1-9-15-10/h1-4,9,12H,5-8H2/b4-3+
InChIKeySLQIYDKYEFNIBT-ONEGZZNKSA-N
MW222.31 g/mol
LogP1.19
Rot. Bonds2

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

(E)-1-piperazin-1-yl-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 13100396) 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-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-piperazin-1-yl-3-thiophen-2-ylprop-2-en-1-one
PubChem CID13100396
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(E)-1-piperazin-1-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCNCC1
InChIInChI=1S/C11H14N2OS/c14-11(13-7-5-12-6-8-13)4-3-10-2-1-9-15-10/h1-4,9,12H,5-8H2/b4-3+
InChIKeySLQIYDKYEFNIBT-ONEGZZNKSA-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

(E)-N-cyclopropyl-3-(thiophen-2-yl)acrylamide
CID 2083679
(E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide
CID 934100
1-[3-(2-Thienyl)acryloyl]piperidine
CID 896101
(E)-N-(4-ethylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide
CID 2084095
1-[(2e,4e,6e)-7-(2-Thienyl)-2,4,6-heptatrienoyl]piperidine
CID 11821786
(2E,4E,6E)-N-Isobutyl-7-(2-Thienyl)-2,4,6-Heptatrienamide
CID 73349612
(2E,4E)-N-Isobutyl-6-(2-thienyl)hexa-2,4-dienamide
CID 14776997
(E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
CID 2413117
3-(2-Thienylmethylene)tetrahydro-2,5-pyrazinedione
CID 6517685
(2E)-N-cyclopentyl-3-(2-thienyl)prop-2-enamide
CID 2164351
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 2385929
(E)-3-(2-thienyl)-N-[2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180429

Frequently Asked Questions

What is the IUPAC name of (E)-1-piperazin-1-yl-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-piperazin-1-yl-3-thiophen-2-ylprop-2-en-1-one (CID 13100396) is (E)-1-piperazin-1-yl-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-piperazin-1-yl-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-piperazin-1-yl-3-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccs1)N1CCNCC1.
What is the InChIKey of (E)-1-piperazin-1-yl-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is SLQIYDKYEFNIBT-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-11(13-7-5-12-6-8-13)4-3-10-2-1-9-15-10/h1-4,9,12H,5-8H2/b4-3+.
What are the key properties of (E)-1-piperazin-1-yl-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-piperazin-1-yl-3-thiophen-2-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-2-ylprop-2-en-1-one is sourced from PubChem (CID 13100396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).