1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide

C19H17Cl5N2O — CID 43926100

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C19H17Cl5N2O/c20-13-4-3-11(14(21)6-13)9-26-5-1-2-12(10-26)19(27)25-18-8-16(23)15(22)7-17(18)24/h3-4,6-8,12H,1-2,5,9-10H2,(H,25,27)
InChIKeyRKRYRHUKMDANGD-UHFFFAOYSA-N
MW466.62 g/mol
LogP6.80
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide (PubChem CID 43926100) has the molecular formula C19H17Cl5N2O and a molecular weight of 466.62 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
PubChem CID43926100
Molecular FormulaC19H17Cl5N2O
Molecular Weight466.62 g/mol
Exact Mass463.98
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C19H17Cl5N2O/c20-13-4-3-11(14(21)6-13)9-26-5-1-2-12(10-26)19(27)25-18-8-16(23)15(22)7-17(18)24/h3-4,6-8,12H,1-2,5,9-10H2,(H,25,27)
InChIKeyRKRYRHUKMDANGD-UHFFFAOYSA-N
XLogP6.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563
(3S)-N-(3-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491505
1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43919301
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 93490424
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperidine-3-carboxamide
CID 93490992
(3R)-N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491426
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43925020
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43919181
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 93490972
1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 43920361
N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924876

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide (CID 43926100) is 1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
The InChIKey is RKRYRHUKMDANGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl5N2O/c20-13-4-3-11(14(21)6-13)9-26-5-1-2-12(10-26)19(27)25-18-8-16(23)15(22)7-17(18)24/h3-4,6-8,12H,1-2,5,9-10H2,(H,25,27).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide has a molecular weight of 466.62 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43926100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).