3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide

C15H19F3N2O — CID 62209957

IUPAC3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCC1CCNCC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-3-1-2-4-13(12)20-14(21)6-5-11-7-9-19-10-8-11/h1-4,11,19H,5-10H2,(H,20,21)
InChIKeyBRLLRGBABMTBAA-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.42
Rot. Bonds4

About 3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide

3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 62209957) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID62209957
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCC1CCNCC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-3-1-2-4-13(12)20-14(21)6-5-11-7-9-19-10-8-11/h1-4,11,19H,5-10H2,(H,20,21)
InChIKeyBRLLRGBABMTBAA-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62210327
3-piperidin-4-yl-N-(2-propylphenyl)propanamide;hydrochloride
CID 75418755
3-cyclohexyl-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18274940
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-[2-(2-fluorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62211196
trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide
CID 91759481
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 102853722
N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 82016419
(2S)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 70181720

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 62209957) is 3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCC1CCNCC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BRLLRGBABMTBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)12-3-1-2-4-13(12)20-14(21)6-5-11-7-9-19-10-8-11/h1-4,11,19H,5-10H2,(H,20,21).
What are the key properties of 3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide?
3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 300.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 62209957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).