N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide

C15H18ClF3N2O — CID 91677756

IUPACN-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H18ClF3N2O/c1-2-21(14(22)15(17,18)19)11-6-7-13(12(16)10-11)20-8-4-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3
InChIKeyBRWWIPTYJHLLLG-UHFFFAOYSA-N
MW334.77 g/mol
LogP4.25
Rot. Bonds3

About N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide

N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 91677756) has the molecular formula C15H18ClF3N2O and a molecular weight of 334.77 g/mol. Its IUPAC name is N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
PubChem CID91677756
Molecular FormulaC15H18ClF3N2O
Molecular Weight334.77 g/mol
Exact Mass334.11
IUPAC NameN-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H18ClF3N2O/c1-2-21(14(22)15(17,18)19)11-6-7-13(12(16)10-11)20-8-4-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3
InChIKeyBRWWIPTYJHLLLG-UHFFFAOYSA-N
XLogP4.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide 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-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide (CID 91677756) is N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide is CCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is BRWWIPTYJHLLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O/c1-2-21(14(22)15(17,18)19)11-6-7-13(12(16)10-11)20-8-4-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide?
N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide has a molecular weight of 334.77 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91677756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).