N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide

C13H16BrIN2O — CID 114262076

IUPACN-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(I)c(Br)c1
InChIInChI=1S/C13H16BrIN2O/c1-8-3-2-6-16-12(8)13(18)17-9-4-5-11(15)10(14)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyAZOOFIALWAJKCJ-UHFFFAOYSA-N
MW423.09 g/mol
LogP3.38
Rot. Bonds2

About N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide

N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide (PubChem CID 114262076) has the molecular formula C13H16BrIN2O and a molecular weight of 423.09 g/mol. Its IUPAC name is N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
PubChem CID114262076
Molecular FormulaC13H16BrIN2O
Molecular Weight423.09 g/mol
Exact Mass421.95
IUPAC NameN-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(I)c(Br)c1
InChIInChI=1S/C13H16BrIN2O/c1-8-3-2-6-16-12(8)13(18)17-9-4-5-11(15)10(14)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyAZOOFIALWAJKCJ-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.09
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
2-bromo-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779861
3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide
CID 107067422
N-(4-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 55060316
N-(3-bromo-4-iodophenyl)-2-pyrrolidin-2-ylacetamide
CID 113266600
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107067383
N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067583
N-(2-bromo-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107625732
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107625589
N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107068357
N-(3-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339279
3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 107067148

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide (CID 114262076) is N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)Nc1ccc(I)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is AZOOFIALWAJKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrIN2O/c1-8-3-2-6-16-12(8)13(18)17-9-4-5-11(15)10(14)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18).
What are the key properties of N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide?
N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 423.09 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114262076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).