1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide

C23H29Cl2N3O3S — CID 38096708

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C23H29Cl2N3O3S/c1-3-28(4-2)32(30,31)21-9-7-20(8-10-21)26-23(29)17-11-13-27(14-12-17)16-18-5-6-19(24)15-22(18)25/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,26,29)
InChIKeyGZGFQNXQOOPILZ-UHFFFAOYSA-N
MW498.48 g/mol
LogP4.87
Rot. Bonds8

About 1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 38096708) has the molecular formula C23H29Cl2N3O3S and a molecular weight of 498.48 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID38096708
Molecular FormulaC23H29Cl2N3O3S
Molecular Weight498.48 g/mol
Exact Mass497.13
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C23H29Cl2N3O3S/c1-3-28(4-2)32(30,31)21-9-7-20(8-10-21)26-23(29)17-11-13-27(14-12-17)16-18-5-6-19(24)15-22(18)25/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,26,29)
InChIKeyGZGFQNXQOOPILZ-UHFFFAOYSA-N
XLogP4.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 38096715
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
1-[(2,4-dichlorophenyl)methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 53284614
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100686065
1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919622
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
CID 43923773
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 100684880
N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284665

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 38096708) is 1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is GZGFQNXQOOPILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O3S/c1-3-28(4-2)32(30,31)21-9-7-20(8-10-21)26-23(29)17-11-13-27(14-12-17)16-18-5-6-19(24)15-22(18)25/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,26,29).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 498.48 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 38096708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).