1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide

C20H22ClIN2O — CID 43923845

IUPAC1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide
SMILESCc1cc(I)ccc1NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClIN2O/c1-14-11-18(22)8-9-19(14)23-20(25)16-3-2-10-24(13-16)12-15-4-6-17(21)7-5-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyMGSDOVCOCXJCRO-UHFFFAOYSA-N
MW468.77 g/mol
LogP5.10
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide (PubChem CID 43923845) has the molecular formula C20H22ClIN2O and a molecular weight of 468.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide
PubChem CID43923845
Molecular FormulaC20H22ClIN2O
Molecular Weight468.77 g/mol
Exact Mass468.05
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide
SMILESCc1cc(I)ccc1NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClIN2O/c1-14-11-18(22)8-9-19(14)23-20(25)16-3-2-10-24(13-16)12-15-4-6-17(21)7-5-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyMGSDOVCOCXJCRO-UHFFFAOYSA-N
XLogP5.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.77
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923842
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490949
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
CID 133159221
N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921606
1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 43921604
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide
CID 45014317
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43924979
N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43926086

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide (CID 43923845) is 1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide is Cc1cc(I)ccc1NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is MGSDOVCOCXJCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClIN2O/c1-14-11-18(22)8-9-19(14)23-20(25)16-3-2-10-24(13-16)12-15-4-6-17(21)7-5-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 468.77 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43923845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).