1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide

C20H22FIN2O — CID 45014317

IUPAC1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FIN2O/c1-14-12-18(22)6-7-19(14)23-20(25)16-8-10-24(11-9-16)13-15-2-4-17(21)5-3-15/h2-7,12,16H,8-11,13H2,1H3,(H,23,25)
InChIKeyWSOHRRRARGAMKL-UHFFFAOYSA-N
MW452.31 g/mol
LogP4.59
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide

1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide (PubChem CID 45014317) has the molecular formula C20H22FIN2O and a molecular weight of 452.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide
PubChem CID45014317
Molecular FormulaC20H22FIN2O
Molecular Weight452.31 g/mol
Exact Mass452.08
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FIN2O/c1-14-12-18(22)6-7-19(14)23-20(25)16-8-10-24(11-9-16)13-15-2-4-17(21)5-3-15/h2-7,12,16H,8-11,13H2,1H3,(H,23,25)
InChIKeyWSOHRRRARGAMKL-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-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-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45012649
N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923842
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349
1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide
CID 43923845
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
1-[(4-bromophenyl)methyl]-N-(4-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 43921575
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019725
N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45006997
1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
CID 133220208
N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45008142
N-[2-(diethylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007629

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide (CID 45014317) is 1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide is Cc1cc(I)ccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide?
The InChIKey is WSOHRRRARGAMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FIN2O/c1-14-12-18(22)6-7-19(14)23-20(25)16-8-10-24(11-9-16)13-15-2-4-17(21)5-3-15/h2-7,12,16H,8-11,13H2,1H3,(H,23,25).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide has a molecular weight of 452.31 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 45014317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).