N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide

C25H23N3O4 — CID 1315418

IUPACN-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H23N3O4/c29-24(26-22-7-4-8-23(17-22)28(31)32)20-13-15-27(16-14-20)25(30)21-11-9-19(10-12-21)18-5-2-1-3-6-18/h1-12,17,20H,13-16H2,(H,26,29)
InChIKeyJWHVMOGCILGMQP-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.75
Rot. Bonds5

About N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide

N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide (PubChem CID 1315418) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
PubChem CID1315418
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H23N3O4/c29-24(26-22-7-4-8-23(17-22)28(31)32)20-13-15-27(16-14-20)25(30)21-11-9-19(10-12-21)18-5-2-1-3-6-18/h1-12,17,20H,13-16H2,(H,26,29)
InChIKeyJWHVMOGCILGMQP-UHFFFAOYSA-N
XLogP4.75
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.75
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'}

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Related Compounds

1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 9411138
1-(4-tert-butylbenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 126057580
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
CID 17359573
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
1-[3-(3-nitroanilino)-3-oxopropyl]-N-phenylpiperidine-4-carboxamide
CID 46685685
N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 59737223
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide (CID 1315418) is N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The InChIKey is JWHVMOGCILGMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c29-24(26-22-7-4-8-23(17-22)28(31)32)20-13-15-27(16-14-20)25(30)21-11-9-19(10-12-21)18-5-2-1-3-6-18/h1-12,17,20H,13-16H2,(H,26,29).
What are the key properties of N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1315418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).