N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

C23H26N2O3 — CID 1376033

IUPACN-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
SMILESCCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C23H26N2O3/c1-2-28-21-14-8-7-13-19(21)17-20(23(27)25-15-9-4-10-16-25)24-22(26)18-11-5-3-6-12-18/h3,5-8,11-14,17H,2,4,9-10,15-16H2,1H3,(H,24,26)/b20-17+
InChIKeyWQWZENCTRUZQLH-LVZFUZTISA-N
MW378.47 g/mol
LogP3.87
Rot. Bonds6

About N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide (PubChem CID 1376033) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
PubChem CID1376033
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
SMILESCCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C23H26N2O3/c1-2-28-21-14-8-7-13-19(21)17-20(23(27)25-15-9-4-10-16-25)24-22(26)18-11-5-3-6-12-18/h3,5-8,11-14,17H,2,4,9-10,15-16H2,1H3,(H,24,26)/b20-17+
InChIKeyWQWZENCTRUZQLH-LVZFUZTISA-N
XLogP3.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.87
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

Tiropramide
CID 42262
3-Benzamidocoumarin
CID 252608
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454348
2(1H)-Pyridinone, 3-(((2-ethoxyphenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454350
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
GT-0198
CID 71584823
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide (CID 1376033) is N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is CCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The InChIKey is WQWZENCTRUZQLH-LVZFUZTISA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-28-21-14-8-7-13-19(21)17-20(23(27)25-15-9-4-10-16-25)24-22(26)18-11-5-3-6-12-18/h3,5-8,11-14,17H,2,4,9-10,15-16H2,1H3,(H,24,26)/b20-17+.
What are the key properties of N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide has a molecular weight of 378.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 1376033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).