1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide

C8H11Cl3N2O2 — CID 17311906

IUPAC1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(Cl)(Cl)Cl)CC1
InChIInChI=1S/C8H11Cl3N2O2/c9-8(10,11)7(15)13-3-1-5(2-4-13)6(12)14/h5H,1-4H2,(H2,12,14)
InChIKeyGBSLRFHYLCXONQ-UHFFFAOYSA-N
MW273.55 g/mol
LogP1.08
Rot. Bonds1

About 1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide

1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide (PubChem CID 17311906) has the molecular formula C8H11Cl3N2O2 and a molecular weight of 273.55 g/mol. Its IUPAC name is 1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide
PubChem CID17311906
Molecular FormulaC8H11Cl3N2O2
Molecular Weight273.55 g/mol
Exact Mass271.99
IUPAC Name1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(Cl)(Cl)Cl)CC1
InChIInChI=1S/C8H11Cl3N2O2/c9-8(10,11)7(15)13-3-1-5(2-4-13)6(12)14/h5H,1-4H2,(H2,12,14)
InChIKeyGBSLRFHYLCXONQ-UHFFFAOYSA-N
XLogP1.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide (CID 17311906) is 1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C(Cl)(Cl)Cl)CC1.
What is the InChIKey of 1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide?
The InChIKey is GBSLRFHYLCXONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl3N2O2/c9-8(10,11)7(15)13-3-1-5(2-4-13)6(12)14/h5H,1-4H2,(H2,12,14).
What are the key properties of 1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide?
1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide has a molecular weight of 273.55 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 17311906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).