1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide

C21H23IN2O4 — CID 126029057

IUPAC1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccc(I)cc2)CC1
InChIInChI=1S/C21H23IN2O4/c1-27-17-4-3-5-18(28-2)19(17)21(26)24-12-10-14(11-13-24)20(25)23-16-8-6-15(22)7-9-16/h3-9,14H,10-13H2,1-2H3,(H,23,25)
InChIKeyPQELDXYNYUHPLV-UHFFFAOYSA-N
MW494.33 g/mol
LogP3.80
Rot. Bonds5

About 1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide

1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide (PubChem CID 126029057) has the molecular formula C21H23IN2O4 and a molecular weight of 494.33 g/mol. Its IUPAC name is 1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide
PubChem CID126029057
Molecular FormulaC21H23IN2O4
Molecular Weight494.33 g/mol
Exact Mass494.07
IUPAC Name1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccc(I)cc2)CC1
InChIInChI=1S/C21H23IN2O4/c1-27-17-4-3-5-18(28-2)19(17)21(26)24-12-10-14(11-13-24)20(25)23-16-8-6-15(22)7-9-16/h3-9,14H,10-13H2,1-2H3,(H,23,25)
InChIKeyPQELDXYNYUHPLV-UHFFFAOYSA-N
XLogP3.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126029508
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125
N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113008763
N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126025508
1-[2-(4-iodoanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55680524
1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
1-(3,5-dimethoxybenzoyl)-N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 46471892
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
N-(2,6-dimethylphenyl)-1-(2-methoxybenzoyl)piperidine-4-carboxamide
CID 113006521
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide (CID 126029057) is 1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide is COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccc(I)cc2)CC1.
What is the InChIKey of 1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide?
The InChIKey is PQELDXYNYUHPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23IN2O4/c1-27-17-4-3-5-18(28-2)19(17)21(26)24-12-10-14(11-13-24)20(25)23-16-8-6-15(22)7-9-16/h3-9,14H,10-13H2,1-2H3,(H,23,25).
What are the key properties of 1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide?
1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide has a molecular weight of 494.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 126029057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).