N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C20H22Cl2N2O — CID 45019585

IUPACN-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C20H22Cl2N2O/c1-14-5-7-15(8-6-14)13-24-11-9-16(10-12-24)20(25)23-18-4-2-3-17(21)19(18)22/h2-8,16H,9-13H2,1H3,(H,23,25)
InChIKeyUDOWIMYISJWSDL-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.15
Rot. Bonds4

About N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 45019585) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID45019585
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC NameN-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C20H22Cl2N2O/c1-14-5-7-15(8-6-14)13-24-11-9-16(10-12-24)20(25)23-18-4-2-3-17(21)19(18)22/h2-8,16H,9-13H2,1H3,(H,23,25)
InChIKeyUDOWIMYISJWSDL-UHFFFAOYSA-N
XLogP5.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-4-carboxamide
CID 45012297
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019725
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349
ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45011956
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45012649
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
CID 133159221
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 45009865
N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284541
N-(3-carbamoyl-2-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284615

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 45019585) is N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CN2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is UDOWIMYISJWSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-14-5-7-15(8-6-14)13-24-11-9-16(10-12-24)20(25)23-18-4-2-3-17(21)19(18)22/h2-8,16H,9-13H2,1H3,(H,23,25).
What are the key properties of N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45019585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).