N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide

C21H22N2O2 — CID 71977454

IUPACN-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(=Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20(16-22-21(25)19-9-5-2-6-10-19)23-13-11-18(12-14-23)15-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,22,25)
InChIKeyXHHOPPHDBFVSHV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.12
Rot. Bonds4

About N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide

N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 71977454) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide
PubChem CID71977454
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(=Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20(16-22-21(25)19-9-5-2-6-10-19)23-13-11-18(12-14-23)15-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,22,25)
InChIKeyXHHOPPHDBFVSHV-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 109414731
4-benzylidene-N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109415055
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
CID 110803551
4-[[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 109414541
methyl 4-benzylidenepiperidine-1-carboxylate
CID 22893849
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide (CID 71977454) is N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCC(=Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is XHHOPPHDBFVSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20(16-22-21(25)19-9-5-2-6-10-19)23-13-11-18(12-14-23)15-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,22,25).
What are the key properties of N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide?
N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 71977454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).