N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide

C15H16ClF3N2O2 — CID 108932983

IUPACN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Cc1ccccc1Cl)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H16ClF3N2O2/c16-12-4-2-1-3-10(12)9-13(22)21-7-5-11(6-8-21)20-14(23)15(17,18)19/h1-4,11H,5-9H2,(H,20,23)
InChIKeyQJPMDMXBZFAADQ-UHFFFAOYSA-N
MW348.75 g/mol
LogP2.55
Rot. Bonds3

About N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide

N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 108932983) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
PubChem CID108932983
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC NameN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Cc1ccccc1Cl)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H16ClF3N2O2/c16-12-4-2-1-3-10(12)9-13(22)21-7-5-11(6-8-21)20-14(23)15(17,18)19/h1-4,11H,5-9H2,(H,20,23)
InChIKeyQJPMDMXBZFAADQ-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide
CID 108922333
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 38822160
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 110822805
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548744
3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62217825
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548705
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548772

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide (CID 108932983) is N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide is O=C(Cc1ccccc1Cl)N1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is QJPMDMXBZFAADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c16-12-4-2-1-3-10(12)9-13(22)21-7-5-11(6-8-21)20-14(23)15(17,18)19/h1-4,11H,5-9H2,(H,20,23).
What are the key properties of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 348.75 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108932983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).