5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide

C25H28N2O3 — CID 91515792

IUPAC5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide
SMILESO=C1NCC(Cc2ccccc2)C(=O)C1C(=O)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H28N2O3/c28-23-20(15-17-7-3-1-4-8-17)16-26-24(29)22(23)25(30)27-21-13-11-19(12-14-21)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,20,22H,2,5-6,9-10,15-16H2,(H,26,29)(H,27,30)
InChIKeyPTQLYIRLFFFODW-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.85
Rot. Bonds5

About 5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide

5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide (PubChem CID 91515792) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide
PubChem CID91515792
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide
SMILESO=C1NCC(Cc2ccccc2)C(=O)C1C(=O)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H28N2O3/c28-23-20(15-17-7-3-1-4-8-17)16-26-24(29)22(23)25(30)27-21-13-11-19(12-14-21)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,20,22H,2,5-6,9-10,15-16H2,(H,26,29)(H,27,30)
InChIKeyPTQLYIRLFFFODW-UHFFFAOYSA-N
XLogP3.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide
CID 90723410
5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide
CID 91081610
(8S)-8-benzyl-N-(4-cyclohexylphenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolizine-2-carboxamide
CID 91512257
N-(4-cyclohexylphenyl)benzamide
CID 10333838
N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide
CID 91167627
5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide
CID 90901292
1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid
CID 143736806
phenyl N-(4-cyclohexylphenyl)carbamate
CID 176960399
N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide
CID 143618867
(1R,5S)-N-(4-cyclohexylphenyl)-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 133124499
(4-cyclopentylphenyl)urea
CID 130193151
N-[[4-(4-cyclohexylanilino)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166062569

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide?
The IUPAC name of 5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide (CID 91515792) is 5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide?
The canonical SMILES for 5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide is O=C1NCC(Cc2ccccc2)C(=O)C1C(=O)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide?
The InChIKey is PTQLYIRLFFFODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c28-23-20(15-17-7-3-1-4-8-17)16-26-24(29)22(23)25(30)27-21-13-11-19(12-14-21)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,20,22H,2,5-6,9-10,15-16H2,(H,26,29)(H,27,30).
What are the key properties of 5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide?
5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide is sourced from PubChem (CID 91515792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).