3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one

C16H17NOS2 — CID 71960797

IUPAC3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccsc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C16H17NOS2/c18-16(4-3-13-7-11-19-12-13)17-8-5-14(6-9-17)15-2-1-10-20-15/h1-4,7,10-12,14H,5-6,8-9H2
InChIKeyDSOWZZDYXKVGSO-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.23
Rot. Bonds3

About 3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one

3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 71960797) has the molecular formula C16H17NOS2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
PubChem CID71960797
Molecular FormulaC16H17NOS2
Molecular Weight303.45 g/mol
Exact Mass303.08
IUPAC Name3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccsc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C16H17NOS2/c18-16(4-3-13-7-11-19-12-13)17-8-5-14(6-9-17)15-2-1-10-20-15/h1-4,7,10-12,14H,5-6,8-9H2
InChIKeyDSOWZZDYXKVGSO-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 71786847
thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843
(E)-3-(3,4-dimethoxyphenyl)-1-(3-thiophen-2-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 131702985
(E)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-thiophen-3-ylprop-2-en-1-one
CID 9168487
(E)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 75407584
2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82130314
2-amino-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82128116
(E)-1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 43415934
(E)-1-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-1-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 126853450
4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid
CID 82134002
(E)-1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 72696381
(E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 40673418

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of 3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one (CID 71960797) is 3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for 3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one is O=C(C=Cc1ccsc1)N1CCC(c2cccs2)CC1.
What is the InChIKey of 3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is DSOWZZDYXKVGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS2/c18-16(4-3-13-7-11-19-12-13)17-8-5-14(6-9-17)15-2-1-10-20-15/h1-4,7,10-12,14H,5-6,8-9H2.
What are the key properties of 3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one?
3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 303.45 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 71960797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).