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

C12H15NOS — CID 896101

IUPAC(E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCCCC1
InChIInChI=1S/C12H15NOS/c14-12(13-8-2-1-3-9-13)7-6-11-5-4-10-15-11/h4-7,10H,1-3,8-9H2/b7-6+
InChIKeyZGYJRCNUWVKODW-VOTSOKGWSA-N
MW221.33 g/mol
LogP2.77
Rot. Bonds2

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

(E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 896101) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is (E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one
PubChem CID896101
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name(E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCCCC1
InChIInChI=1S/C12H15NOS/c14-12(13-8-2-1-3-9-13)7-6-11-5-4-10-15-11/h4-7,10H,1-3,8-9H2/b7-6+
InChIKeyZGYJRCNUWVKODW-VOTSOKGWSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one (CID 896101) is (E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccs1)N1CCCCC1.
What is the InChIKey of (E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is ZGYJRCNUWVKODW-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H15NOS/c14-12(13-8-2-1-3-9-13)7-6-11-5-4-10-15-11/h4-7,10H,1-3,8-9H2/b7-6+.
What are the key properties of (E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 221.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-piperidin-1-yl-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 896101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).