N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide

C15H17F5N2O — CID 46630533

IUPACN-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(F)ccc1F)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H17F5N2O/c1-9(22-6-2-3-10(8-22)15(18,19)20)14(23)21-13-7-11(16)4-5-12(13)17/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,21,23)
InChIKeyQZXPUHRUEIOBLF-UHFFFAOYSA-N
MW336.30 g/mol
LogP3.57
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide

N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 46630533) has the molecular formula C15H17F5N2O and a molecular weight of 336.30 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID46630533
Molecular FormulaC15H17F5N2O
Molecular Weight336.30 g/mol
Exact Mass336.13
IUPAC NameN-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(F)ccc1F)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H17F5N2O/c1-9(22-6-2-3-10(8-22)15(18,19)20)14(23)21-13-7-11(16)4-5-12(13)17/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,21,23)
InChIKeyQZXPUHRUEIOBLF-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 46630906
1-[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119905072
(2R)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
CID 52521154
(2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
CID 52521152
N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
CID 71930629
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801609
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 17411208
(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801564
N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 42911884
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 26598322

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 46630533) is N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide is CC(C(=O)Nc1cc(F)ccc1F)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is QZXPUHRUEIOBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F5N2O/c1-9(22-6-2-3-10(8-22)15(18,19)20)14(23)21-13-7-11(16)4-5-12(13)17/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,21,23).
What are the key properties of N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 336.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 46630533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).