1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one

C21H24N2O3 — CID 51361867

IUPAC1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one
SMILESCCOc1ccc(/C=C(\C(=O)N2CCCCC2)n2ccccc2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-2-26-18-11-9-17(10-12-18)16-19(23-15-7-4-8-20(23)24)21(25)22-13-5-3-6-14-22/h4,7-12,15-16H,2-3,5-6,13-14H2,1H3/b19-16+
InChIKeyIGFHBZACZXSMIU-KNTRCKAVSA-N
MW352.43 g/mol
LogP3.26
Rot. Bonds5

About 1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one

1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one (PubChem CID 51361867) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one
PubChem CID51361867
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one
SMILESCCOc1ccc(/C=C(\C(=O)N2CCCCC2)n2ccccc2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-2-26-18-11-9-17(10-12-18)16-19(23-15-7-4-8-20(23)24)21(25)22-13-5-3-6-14-22/h4,7-12,15-16H,2-3,5-6,13-14H2,1H3/b19-16+
InChIKeyIGFHBZACZXSMIU-KNTRCKAVSA-N
XLogP3.26
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3-(4-ethoxyphenyl)acrylamide
CID 797113
3-[(4-Methoxyphenyl)methylene]tetrahydro-2,5-pyrazinedione
CID 6374432
Nocazine C
CID 56600878
2(1H)-Pyridinone, 3-(((2-ethoxyphenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454350
1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 54764158
(E)-1-morpholin-4-yl-3-(4-propoxyphenyl)prop-2-en-1-one
CID 1569010
4-[2-(Acetylamino)-3-oxo-3-(1-piperidinyl)-1-propen-1-yl]-2-methoxyphenyl acetate
CID 5718763
(2E)-1-(4-ethylpiperazinyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5826833
(6E)-6-[(4-methoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
CID 5890427
(E)-N,N-dicyclohexyl-3-(4-methoxy-phenyl)-acrylamide
CID 5853474
1-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 11515374
(E)-3-[1-[2-(4-ethoxyphenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846277

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one?
The IUPAC name of 1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one (CID 51361867) is 1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one?
The canonical SMILES for 1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one is CCOc1ccc(/C=C(\C(=O)N2CCCCC2)n2ccccc2=O)cc1.
What is the InChIKey of 1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one?
The InChIKey is IGFHBZACZXSMIU-KNTRCKAVSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-26-18-11-9-17(10-12-18)16-19(23-15-7-4-8-20(23)24)21(25)22-13-5-3-6-14-22/h4,7-12,15-16H,2-3,5-6,13-14H2,1H3/b19-16+.
What are the key properties of 1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one?
1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one has a molecular weight of 352.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one is sourced from PubChem (CID 51361867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).