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

C18H19NOS — CID 71786847

IUPAC(E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C18H19NOS/c20-18(9-8-15-5-2-1-3-6-15)19-12-10-16(11-13-19)17-7-4-14-21-17/h1-9,14,16H,10-13H2/b9-8+
InChIKeyVXHWMQHBGFQNJR-CMDGGOBGSA-N
MW297.42 g/mol
LogP4.17
Rot. Bonds3

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

(E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 71786847) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is (E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
PubChem CID71786847
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name(E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C18H19NOS/c20-18(9-8-15-5-2-1-3-6-15)19-12-10-16(11-13-19)17-7-4-14-21-17/h1-9,14,16H,10-13H2/b9-8+
InChIKeyVXHWMQHBGFQNJR-CMDGGOBGSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.17
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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Related Compounds

3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 71960797
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate
CID 55371333
(E)-3-(3,4-dimethoxyphenyl)-1-(3-thiophen-2-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 131702985
(E)-3-phenyl-1-(7-phenyl-1,4-thiazepan-4-yl)prop-2-en-1-one
CID 90629393
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid
CID 82134002
ethane;1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbaldehyde
CID 91411827
2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82130314
2-amino-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82128116
N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55391334
(E)-1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 43415934

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one (CID 71786847) is (E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCC(c2cccs2)CC1.
What is the InChIKey of (E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is VXHWMQHBGFQNJR-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H19NOS/c20-18(9-8-15-5-2-1-3-6-15)19-12-10-16(11-13-19)17-7-4-14-21-17/h1-9,14,16H,10-13H2/b9-8+.
What are the key properties of (E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one?
(E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 297.42 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 71786847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).