N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide

C20H21IN2O3 — CID 112824394

IUPACN-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(I)cc3)CC2)cc1
InChIInChI=1S/C20H21IN2O3/c1-26-18-8-2-14(3-9-18)19(24)15-10-12-23(13-11-15)20(25)22-17-6-4-16(21)5-7-17/h2-9,15H,10-13H2,1H3,(H,22,25)
InChIKeyQYIFQGYRDXORLS-UHFFFAOYSA-N
MW464.30 g/mol
LogP4.43
Rot. Bonds4

About N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide

N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide (PubChem CID 112824394) has the molecular formula C20H21IN2O3 and a molecular weight of 464.30 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
PubChem CID112824394
Molecular FormulaC20H21IN2O3
Molecular Weight464.30 g/mol
Exact Mass464.06
IUPAC NameN-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(I)cc3)CC2)cc1
InChIInChI=1S/C20H21IN2O3/c1-26-18-8-2-14(3-9-18)19(24)15-10-12-23(13-11-15)20(25)22-17-6-4-16(21)5-7-17/h2-9,15H,10-13H2,1H3,(H,22,25)
InChIKeyQYIFQGYRDXORLS-UHFFFAOYSA-N
XLogP4.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824546
N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112825312
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
1-[[4-(4-methoxyphenyl)sulfanylphenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122079306
N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 55874085
4-N-cyclohexyl-1-N-(4-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 6486998
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824480
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 16608359
N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165118
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide (CID 112824394) is N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(I)cc3)CC2)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The InChIKey is QYIFQGYRDXORLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21IN2O3/c1-26-18-8-2-14(3-9-18)19(24)15-10-12-23(13-11-15)20(25)22-17-6-4-16(21)5-7-17/h2-9,15H,10-13H2,1H3,(H,22,25).
What are the key properties of N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide has a molecular weight of 464.30 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 112824394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).