1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C14H17F3N2O — CID 18093901

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-3-1-2-10(8-12)9-19-6-4-11(5-7-19)13(18)20/h1-3,8,11H,4-7,9H2,(H2,18,20)
InChIKeyJJCFDGSEHWOOMI-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.40
Rot. Bonds3

About 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 18093901) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID18093901
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-3-1-2-10(8-12)9-19-6-4-11(5-7-19)13(18)20/h1-3,8,11H,4-7,9H2,(H2,18,20)
InChIKeyJJCFDGSEHWOOMI-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboximidamide
CID 77038991
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 25448752
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
1-[(3-carbamothioylphenyl)methyl]piperidine-4-carboxamide
CID 24696058
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 25474147
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 18093901) is 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is JJCFDGSEHWOOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)12-3-1-2-10(8-12)9-19-6-4-11(5-7-19)13(18)20/h1-3,8,11H,4-7,9H2,(H2,18,20).
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 18093901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).