N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide

C25H25N3O2 — CID 59737223

IUPACN-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H25N3O2/c26-22-12-11-21(18-7-3-1-4-8-18)17-23(22)27-24(29)19-13-15-28(16-14-19)25(30)20-9-5-2-6-10-20/h1-12,17,19H,13-16,26H2,(H,27,29)
InChIKeyQXMBDVWLPYNCGO-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.43
Rot. Bonds4

About N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide

N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide (PubChem CID 59737223) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide
PubChem CID59737223
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H25N3O2/c26-22-12-11-21(18-7-3-1-4-8-18)17-23(22)27-24(29)19-13-15-28(16-14-19)25(30)20-9-5-2-6-10-20/h1-12,17,19H,13-16,26H2,(H,27,29)
InChIKeyQXMBDVWLPYNCGO-UHFFFAOYSA-N
XLogP4.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-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

N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 126069700
N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 120568951
1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide
CID 89183109
N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126069157
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1315418
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
1-benzoyl-N-(2-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 154737923

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide (CID 59737223) is N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide is Nc1ccc(-c2ccccc2)cc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide?
The InChIKey is QXMBDVWLPYNCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c26-22-12-11-21(18-7-3-1-4-8-18)17-23(22)27-24(29)19-13-15-28(16-14-19)25(30)20-9-5-2-6-10-20/h1-12,17,19H,13-16,26H2,(H,27,29).
What are the key properties of N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide?
N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide is sourced from PubChem (CID 59737223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).