N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide

C13H15F3N2O — CID 110482453

IUPACN-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1c(F)cc(F)cc1F)C1CCCNC1
InChIInChI=1S/C13H15F3N2O/c14-9-4-11(15)10(12(16)5-9)7-18-13(19)8-2-1-3-17-6-8/h4-5,8,17H,1-3,6-7H2,(H,18,19)
InChIKeyQJHLJLIZOABJKJ-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.72
Rot. Bonds3

About N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide

N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 110482453) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID110482453
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1c(F)cc(F)cc1F)C1CCCNC1
InChIInChI=1S/C13H15F3N2O/c14-9-4-11(15)10(12(16)5-9)7-18-13(19)8-2-1-3-17-6-8/h4-5,8,17H,1-3,6-7H2,(H,18,19)
InChIKeyQJHLJLIZOABJKJ-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2,3,5-trifluorophenyl)piperidine-3-carboxamide
CID 81139845
(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 94705337
N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide
CID 61000515
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
(3R)-N-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
CID 106417230
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide (CID 110482453) is N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1c(F)cc(F)cc1F)C1CCCNC1.
What is the InChIKey of N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QJHLJLIZOABJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-9-4-11(15)10(12(16)5-9)7-18-13(19)8-2-1-3-17-6-8/h4-5,8,17H,1-3,6-7H2,(H,18,19).
What are the key properties of N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide?
N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110482453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).