N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide

C14H14ClF3N2O2 — CID 2200094

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H14ClF3N2O2/c15-11-5-4-9(8-10(11)14(16,17)18)19-12(21)13(22)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7H2,(H,19,21)
InChIKeyOWILERJAJPTVIK-UHFFFAOYSA-N
MW334.73 g/mol
LogP3.31
Rot. Bonds1

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 2200094) has the molecular formula C14H14ClF3N2O2 and a molecular weight of 334.73 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide
PubChem CID2200094
Molecular FormulaC14H14ClF3N2O2
Molecular Weight334.73 g/mol
Exact Mass334.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H14ClF3N2O2/c15-11-5-4-9(8-10(11)14(16,17)18)19-12(21)13(22)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7H2,(H,19,21)
InChIKeyOWILERJAJPTVIK-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide (CID 2200094) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCCCC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is OWILERJAJPTVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O2/c15-11-5-4-9(8-10(11)14(16,17)18)19-12(21)13(22)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7H2,(H,19,21).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 334.73 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2200094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).