2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide

C22H27IN2O — CID 68956341

IUPAC2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1ccc(CN(C(=O)Cc2ccc(I)cc2)C2CCN(C)CC2)cc1
InChIInChI=1S/C22H27IN2O/c1-17-3-5-19(6-4-17)16-25(21-11-13-24(2)14-12-21)22(26)15-18-7-9-20(23)10-8-18/h3-10,21H,11-16H2,1-2H3
InChIKeyRQBKKQLZFILWSV-UHFFFAOYSA-N
MW462.38 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide

2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 68956341) has the molecular formula C22H27IN2O and a molecular weight of 462.38 g/mol. Its IUPAC name is 2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID68956341
Molecular FormulaC22H27IN2O
Molecular Weight462.38 g/mol
Exact Mass462.12
IUPAC Name2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1ccc(CN(C(=O)Cc2ccc(I)cc2)C2CCN(C)CC2)cc1
InChIInChI=1S/C22H27IN2O/c1-17-3-5-19(6-4-17)16-25(21-11-13-24(2)14-12-21)22(26)15-18-7-9-20(23)10-8-18/h3-10,21H,11-16H2,1-2H3
InChIKeyRQBKKQLZFILWSV-UHFFFAOYSA-N
XLogP4.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride
CID 23512950
methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate
CID 69013818
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide
CID 174663762
N,1-dimethyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 792378
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 19114652
N-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-(4-iodophenyl)acetamide
CID 10078553
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 10139738
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
(2R,3R)-2,3-dihydroxybutanedioic acid;N-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-(4-iodophenyl)acetamide
CID 10078552
N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
CID 102871873
2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide
CID 89167069

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide (CID 68956341) is 2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide is Cc1ccc(CN(C(=O)Cc2ccc(I)cc2)C2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is RQBKKQLZFILWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27IN2O/c1-17-3-5-19(6-4-17)16-25(21-11-13-24(2)14-12-21)22(26)15-18-7-9-20(23)10-8-18/h3-10,21H,11-16H2,1-2H3.
What are the key properties of 2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide?
2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 462.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 68956341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).