N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C21H23IN2O3 — CID 55631254

IUPACN-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C21H23IN2O3/c1-15-13-17(22)7-8-19(15)23-21(26)16-9-11-24(12-10-16)20(25)14-27-18-5-3-2-4-6-18/h2-8,13,16H,9-12,14H2,1H3,(H,23,26)
InChIKeyCCNAIUBXLPFFHI-UHFFFAOYSA-N
MW478.33 g/mol
LogP3.86
Rot. Bonds5

About N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55631254) has the molecular formula C21H23IN2O3 and a molecular weight of 478.33 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55631254
Molecular FormulaC21H23IN2O3
Molecular Weight478.33 g/mol
Exact Mass478.08
IUPAC NameN-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C21H23IN2O3/c1-15-13-17(22)7-8-19(15)23-21(26)16-9-11-24(12-10-16)20(25)14-27-18-5-3-2-4-6-18/h2-8,13,16H,9-12,14H2,1H3,(H,23,26)
InChIKeyCCNAIUBXLPFFHI-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673965
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 86931753
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55882738
1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008372
1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide
CID 63575915
N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113006540
1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55630273

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55631254) is N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is Cc1cc(I)ccc1NC(=O)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is CCNAIUBXLPFFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23IN2O3/c1-15-13-17(22)7-8-19(15)23-21(26)16-9-11-24(12-10-16)20(25)14-27-18-5-3-2-4-6-18/h2-8,13,16H,9-12,14H2,1H3,(H,23,26).
What are the key properties of N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 478.33 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55631254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).