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

C17H21F3N2O — CID 163345849

IUPACN-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H21F3N2O/c18-17(19,20)14-3-1-2-12(10-14)11-22-8-6-13(7-9-22)16(23)21-15-4-5-15/h1-3,10,13,15H,4-9,11H2,(H,21,23)
InChIKeyRGLHRZHHLIKMGZ-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.20
Rot. Bonds4

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

N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 163345849) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID163345849
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC NameN-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H21F3N2O/c18-17(19,20)14-3-1-2-12(10-14)11-22-8-6-13(7-9-22)16(23)21-15-4-5-15/h1-3,10,13,15H,4-9,11H2,(H,21,23)
InChIKeyRGLHRZHHLIKMGZ-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
(3S)-N-cyclopropyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25374926
N'-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboximidamide
CID 77038991
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 174579235
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
4-[[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 167874854
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 163345849) is N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is RGLHRZHHLIKMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O/c18-17(19,20)14-3-1-2-12(10-14)11-22-8-6-13(7-9-22)16(23)21-15-4-5-15/h1-3,10,13,15H,4-9,11H2,(H,21,23).
What are the key properties of N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 163345849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).