N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide

C20H21Cl3N2O2 — CID 43921495

IUPACN-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H21Cl3N2O2/c1-27-19-5-4-16(22)11-18(19)24-20(26)13-6-8-25(9-7-13)12-14-2-3-15(21)10-17(14)23/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,26)
InChIKeySOYQMHHSBQYTGN-UHFFFAOYSA-N
MW427.76 g/mol
LogP5.51
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 43921495) has the molecular formula C20H21Cl3N2O2 and a molecular weight of 427.76 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID43921495
Molecular FormulaC20H21Cl3N2O2
Molecular Weight427.76 g/mol
Exact Mass426.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H21Cl3N2O2/c1-27-19-5-4-16(22)11-18(19)24-20(26)13-6-8-25(9-7-13)12-14-2-3-15(21)10-17(14)23/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,26)
InChIKeySOYQMHHSBQYTGN-UHFFFAOYSA-N
XLogP5.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.76
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491426
N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007817
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409
1-[(4-chloro-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 100684049
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 45015995
N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
CID 43923773
N-(5-chloro-2-methoxyphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909398
N-(5-chloro-2-methoxyphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910110

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (CID 43921495) is N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SOYQMHHSBQYTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl3N2O2/c1-27-19-5-4-16(22)11-18(19)24-20(26)13-6-8-25(9-7-13)12-14-2-3-15(21)10-17(14)23/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 427.76 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43921495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).