1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide

C16H19Cl3N2O2 — CID 47026261

IUPAC1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C16H19Cl3N2O2/c1-9(2)16(23)21-5-3-4-10(8-21)15(22)20-14-7-12(18)11(17)6-13(14)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,22)
InChIKeyCNZQDSJYYNXELR-UHFFFAOYSA-N
MW377.70 g/mol
LogP4.48
Rot. Bonds3

About 1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide

1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide (PubChem CID 47026261) has the molecular formula C16H19Cl3N2O2 and a molecular weight of 377.70 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
PubChem CID47026261
Molecular FormulaC16H19Cl3N2O2
Molecular Weight377.70 g/mol
Exact Mass376.05
IUPAC Name1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C16H19Cl3N2O2/c1-9(2)16(23)21-5-3-4-10(8-21)15(22)20-14-7-12(18)11(17)6-13(14)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,22)
InChIKeyCNZQDSJYYNXELR-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.70
LogP ≤ 54.48
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-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 47021187
1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43905928
(3S)-N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 52519571
(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 51941064
1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43926100
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066572
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775816
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 1-propanoylpiperidine-3-carboxylate
CID 55994853
1-(2,2-dimethylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17224280
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide (CID 47026261) is 1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide is CC(C)C(=O)N1CCCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
The InChIKey is CNZQDSJYYNXELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl3N2O2/c1-9(2)16(23)21-5-3-4-10(8-21)15(22)20-14-7-12(18)11(17)6-13(14)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,22).
What are the key properties of 1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide has a molecular weight of 377.70 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 47026261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).