4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide

C19H19N3O4 — CID 134049478

IUPAC4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide
SMILESO=C(c1ccccc1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H19N3O4/c23-18(14-4-2-1-3-5-14)15-10-12-21(13-11-15)19(24)20-16-6-8-17(9-7-16)22(25)26/h1-9,15H,10-13H2,(H,20,24)
InChIKeyXDEQHUBQKPLARD-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.72
Rot. Bonds4

About 4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide

4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide (PubChem CID 134049478) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide
PubChem CID134049478
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide
SMILESO=C(c1ccccc1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H19N3O4/c23-18(14-4-2-1-3-5-14)15-10-12-21(13-11-15)19(24)20-16-6-8-17(9-7-16)22(25)26/h1-9,15H,10-13H2,(H,20,24)
InChIKeyXDEQHUBQKPLARD-UHFFFAOYSA-N
XLogP3.72
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-benzoyl-N-(4-nitrophenyl)piperidine-1-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

4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 27231869
[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 30016751
4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 60958056
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
CID 2943790
(1R,7R)-7-methyl-N-(4-nitrophenyl)-1-oxo-1,4-thiazepane-4-carboxamide
CID 124844078
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 37162780
N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 3490558
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 2933426
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22614387
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478520

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide (CID 134049478) is 4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide is O=C(c1ccccc1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide?
The InChIKey is XDEQHUBQKPLARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-18(14-4-2-1-3-5-14)15-10-12-21(13-11-15)19(24)20-16-6-8-17(9-7-16)22(25)26/h1-9,15H,10-13H2,(H,20,24).
What are the key properties of 4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide?
4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 134049478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).