N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide

C22H24N2O3 — CID 69145494

IUPACN-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide
SMILESCOc1ccccc1C(=CNC(=O)c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C22H24N2O3/c1-27-20-13-7-6-12-18(20)19(22(26)24-14-8-3-9-15-24)16-23-21(25)17-10-4-2-5-11-17/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3,(H,23,25)
InChIKeyYKBVWOYKVUHGQI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide

N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide (PubChem CID 69145494) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide
PubChem CID69145494
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide
SMILESCOc1ccccc1C(=CNC(=O)c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C22H24N2O3/c1-27-20-13-7-6-12-18(20)19(22(26)24-14-8-3-9-15-24)16-23-21(25)17-10-4-2-5-11-17/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3,(H,23,25)
InChIKeyYKBVWOYKVUHGQI-UHFFFAOYSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.48
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

N-[(E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 3002797
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
N-[(Z)-1-chloro-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
CID 56659821
N-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 3090292
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
(E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-en-1-one
CID 39290149
N-[1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridine-4-carboxamide
CID 91023383
N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 46262149
N-(2,2-dichloroethenyl)-2-methoxybenzamide
CID 12837648
(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208524
(Z)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208525
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 24791588

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide (CID 69145494) is N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide is COc1ccccc1C(=CNC(=O)c1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide?
The InChIKey is YKBVWOYKVUHGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-20-13-7-6-12-18(20)19(22(26)24-14-8-3-9-15-24)16-23-21(25)17-10-4-2-5-11-17/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide?
N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide is sourced from PubChem (CID 69145494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).