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

C20H22Cl2N2O2 — CID 43919697

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-26-18-6-4-17(5-7-18)23-20(25)14-8-10-24(11-9-14)13-15-2-3-16(21)12-19(15)22/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)
InChIKeyHUNRPFIDNWTROU-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.85
Rot. Bonds5

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

1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 43919697) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
PubChem CID43919697
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-26-18-6-4-17(5-7-18)23-20(25)14-8-10-24(11-9-14)13-15-2-3-16(21)12-19(15)22/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)
InChIKeyHUNRPFIDNWTROU-UHFFFAOYSA-N
XLogP4.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 93490651
1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919622
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921495
1-[(2,4-dichlorophenyl)methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 53284614
1-[(2,4-dichlorophenyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 94024957
1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 38096708
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-[(2,4-dichlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53284653
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide (CID 43919697) is 1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is HUNRPFIDNWTROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-26-18-6-4-17(5-7-18)23-20(25)14-8-10-24(11-9-14)13-15-2-3-16(21)12-19(15)22/h2-7,12,14H,8-11,13H2,1H3,(H,23,25).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 393.31 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 43919697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).