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

C21H25IN2O — CID 43923842

IUPACN-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCCC(C(=O)Nc3ccc(I)cc3C)C2)cc1
InChIInChI=1S/C21H25IN2O/c1-15-5-7-17(8-6-15)13-24-11-3-4-18(14-24)21(25)23-20-10-9-19(22)12-16(20)2/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,23,25)
InChIKeyGVAIAQHGITUWCX-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.76
Rot. Bonds4

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

N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43923842) has the molecular formula C21H25IN2O and a molecular weight of 448.35 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43923842
Molecular FormulaC21H25IN2O
Molecular Weight448.35 g/mol
Exact Mass448.10
IUPAC NameN-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCCC(C(=O)Nc3ccc(I)cc3C)C2)cc1
InChIInChI=1S/C21H25IN2O/c1-15-5-7-17(8-6-15)13-24-11-3-4-18(14-24)21(25)23-20-10-9-19(22)12-16(20)2/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,23,25)
InChIKeyGVAIAQHGITUWCX-UHFFFAOYSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.76
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

1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide
CID 43923845
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136
1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide
CID 45014317
N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919529
methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43925728
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924034
N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929592
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 43923842) is N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CN2CCCC(C(=O)Nc3ccc(I)cc3C)C2)cc1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GVAIAQHGITUWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25IN2O/c1-15-5-7-17(8-6-15)13-24-11-3-4-18(14-24)21(25)23-20-10-9-19(22)12-16(20)2/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 448.35 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43923842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).