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

C18H17Cl3N2O — CID 17152279

IUPAC1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H17Cl3N2O/c19-14-10-16(21)17(11-15(14)20)22-18(24)12-6-8-23(9-7-12)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,22,24)
InChIKeyFZJXATOCPZQXFM-UHFFFAOYSA-N
MW383.71 g/mol
LogP5.50
Rot. Bonds3

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

1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide (PubChem CID 17152279) has the molecular formula C18H17Cl3N2O and a molecular weight of 383.71 g/mol. Its IUPAC name is 1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
PubChem CID17152279
Molecular FormulaC18H17Cl3N2O
Molecular Weight383.71 g/mol
Exact Mass382.04
IUPAC Name1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H17Cl3N2O/c19-14-10-16(21)17(11-15(14)20)22-18(24)12-6-8-23(9-7-12)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,22,24)
InChIKeyFZJXATOCPZQXFM-UHFFFAOYSA-N
XLogP5.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.71
LogP ≤ 55.50
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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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide (CID 17152279) is 1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
The InChIKey is FZJXATOCPZQXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O/c19-14-10-16(21)17(11-15(14)20)22-18(24)12-6-8-23(9-7-12)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,22,24).
What are the key properties of 1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide has a molecular weight of 383.71 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).