N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

C20H21IN2O2 — CID 55624039

IUPACN-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(I)cc3)C2)cc1
InChIInChI=1S/C20H21IN2O2/c1-14-4-6-15(7-5-14)20(25)23-12-2-3-16(13-23)19(24)22-18-10-8-17(21)9-11-18/h4-11,16H,2-3,12-13H2,1H3,(H,22,24)
InChIKeyLSDBHUNPAFZVOC-UHFFFAOYSA-N
MW448.30 g/mol
LogP4.09
Rot. Bonds3

About N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 55624039) has the molecular formula C20H21IN2O2 and a molecular weight of 448.30 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID55624039
Molecular FormulaC20H21IN2O2
Molecular Weight448.30 g/mol
Exact Mass448.06
IUPAC NameN-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(I)cc3)C2)cc1
InChIInChI=1S/C20H21IN2O2/c1-14-4-6-15(7-5-14)20(25)23-12-2-3-16(13-23)19(24)22-18-10-8-17(21)9-11-18/h4-11,16H,2-3,12-13H2,1H3,(H,22,24)
InChIKeyLSDBHUNPAFZVOC-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.30
LogP ≤ 54.09
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-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide
CID 55626981
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
N-[4-(dimethylamino)-3-methylphenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55652132
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
1-(4-methylbenzoyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55970448
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161128
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 166364664

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 55624039) is N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(I)cc3)C2)cc1.
What is the InChIKey of N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is LSDBHUNPAFZVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21IN2O2/c1-14-4-6-15(7-5-14)20(25)23-12-2-3-16(13-23)19(24)22-18-10-8-17(21)9-11-18/h4-11,16H,2-3,12-13H2,1H3,(H,22,24).
What are the key properties of N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 448.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55624039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).