N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide

C14H15F5N2O — CID 165141798

IUPACN-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)[C@@H]1CCN[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H15F5N2O/c1-21(13(22)14(17,18)19)9-4-5-20-12(7-9)8-2-3-10(15)11(16)6-8/h2-3,6,9,12,20H,4-5,7H2,1H3/t9-,12+/m1/s1
InChIKeyBOCZISANEHNWFR-SKDRFNHKSA-N
MW322.28 g/mol
LogP2.78
Rot. Bonds2

About N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide

N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 165141798) has the molecular formula C14H15F5N2O and a molecular weight of 322.28 g/mol. Its IUPAC name is N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID165141798
Molecular FormulaC14H15F5N2O
Molecular Weight322.28 g/mol
Exact Mass322.11
IUPAC NameN-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)[C@@H]1CCN[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H15F5N2O/c1-21(13(22)14(17,18)19)9-4-5-20-12(7-9)8-2-3-10(15)11(16)6-8/h2-3,6,9,12,20H,4-5,7H2,1H3/t9-,12+/m1/s1
InChIKeyBOCZISANEHNWFR-SKDRFNHKSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide 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-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide (CID 165141798) is N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)[C@@H]1CCN[C@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is BOCZISANEHNWFR-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H15F5N2O/c1-21(13(22)14(17,18)19)9-4-5-20-12(7-9)8-2-3-10(15)11(16)6-8/h2-3,6,9,12,20H,4-5,7H2,1H3/t9-,12+/m1/s1.
What are the key properties of N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide?
N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 322.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 165141798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).