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

C14H16ClF3N2O — CID 2813143

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H16ClF3N2O/c15-11-8-10(14(16,17)18)4-5-12(11)19-13(21)9-20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9H2,(H,19,21)
InChIKeyMNQWPAYJIRUGMP-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.78
Rot. Bonds3

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

N-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide (PubChem CID 2813143) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide
PubChem CID2813143
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H16ClF3N2O/c15-11-8-10(14(16,17)18)4-5-12(11)19-13(21)9-20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9H2,(H,19,21)
InChIKeyMNQWPAYJIRUGMP-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide (CID 2813143) is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is MNQWPAYJIRUGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c15-11-8-10(14(16,17)18)4-5-12(11)19-13(21)9-20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9H2,(H,19,21).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 320.74 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2813143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).