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

C22H24Cl4N2OS — CID 43922665

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C22H24Cl4N2OS/c23-18-5-4-16(20(25)11-18)12-28-8-1-2-17(13-28)22(29)27-7-9-30-14-15-3-6-19(24)21(26)10-15/h3-6,10-11,17H,1-2,7-9,12-14H2,(H,27,29)
InChIKeyQUZKWMUNIIDFPJ-UHFFFAOYSA-N
MW506.33 g/mol
LogP6.56
Rot. Bonds8

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

1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide (PubChem CID 43922665) has the molecular formula C22H24Cl4N2OS and a molecular weight of 506.33 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
PubChem CID43922665
Molecular FormulaC22H24Cl4N2OS
Molecular Weight506.33 g/mol
Exact Mass504.04
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C22H24Cl4N2OS/c23-18-5-4-16(20(25)11-18)12-28-8-1-2-17(13-28)22(29)27-7-9-30-14-15-3-6-19(24)21(26)10-15/h3-6,10-11,17H,1-2,7-9,12-14H2,(H,27,29)
InChIKeyQUZKWMUNIIDFPJ-UHFFFAOYSA-N
XLogP6.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.33
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 43922594
N-(2-benzylsulfanylethyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43920746
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
(3S)-1-[(2-chlorophenyl)methyl]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 93491132
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 132667749
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 43933746
1-[(4-chlorophenyl)methyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 43920787
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 93490238
N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924214
(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 38103114
1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921064
N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43918749

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide (CID 43922665) is 1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide is O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide?
The InChIKey is QUZKWMUNIIDFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl4N2OS/c23-18-5-4-16(20(25)11-18)12-28-8-1-2-17(13-28)22(29)27-7-9-30-14-15-3-6-19(24)21(26)10-15/h3-6,10-11,17H,1-2,7-9,12-14H2,(H,27,29).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide has a molecular weight of 506.33 g/mol, XLogP of 6.56, 8 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-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43922665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).