N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide

C12H13IN2O2 — CID 78281148

IUPACN-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2I)CN1
InChIInChI=1S/C12H13IN2O2/c13-9-3-1-2-4-10(9)15-12(17)8-5-6-11(16)14-7-8/h1-4,8H,5-7H2,(H,14,16)(H,15,17)
InChIKeyQDFLEGDERMPNHS-UHFFFAOYSA-N
MW344.15 g/mol
LogP1.76
Rot. Bonds2

About N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide

N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 78281148) has the molecular formula C12H13IN2O2 and a molecular weight of 344.15 g/mol. Its IUPAC name is N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
PubChem CID78281148
Molecular FormulaC12H13IN2O2
Molecular Weight344.15 g/mol
Exact Mass344.00
IUPAC NameN-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2I)CN1
InChIInChI=1S/C12H13IN2O2/c13-9-3-1-2-4-10(9)15-12(17)8-5-6-11(16)14-7-8/h1-4,8H,5-7H2,(H,14,16)(H,15,17)
InChIKeyQDFLEGDERMPNHS-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.15
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-iodophenyl)-6-oxopiperidine-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

N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 76872950
N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729117
3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid
CID 107272548
(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide
CID 97341230
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide
CID 64767364
N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 79040523
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981788

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide (CID 78281148) is N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2ccccc2I)CN1.
What is the InChIKey of N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is QDFLEGDERMPNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O2/c13-9-3-1-2-4-10(9)15-12(17)8-5-6-11(16)14-7-8/h1-4,8H,5-7H2,(H,14,16)(H,15,17).
What are the key properties of N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide?
N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 344.15 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 78281148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).