N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide

C17H22F4N2O — CID 97197075

IUPACN-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
SMILESCN1CCCC[C@H]1CCC(=O)NCc1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C17H22F4N2O/c1-23-9-3-2-4-14(23)6-8-16(24)22-11-12-10-13(18)5-7-15(12)17(19,20)21/h5,7,10,14H,2-4,6,8-9,11H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyFRHXFZCUTXIUKU-AWEZNQCLSA-N
MW346.37 g/mol
LogP3.73
Rot. Bonds5

About N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide

N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide (PubChem CID 97197075) has the molecular formula C17H22F4N2O and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
PubChem CID97197075
Molecular FormulaC17H22F4N2O
Molecular Weight346.37 g/mol
Exact Mass346.17
IUPAC NameN-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
SMILESCN1CCCC[C@H]1CCC(=O)NCc1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C17H22F4N2O/c1-23-9-3-2-4-14(23)6-8-16(24)22-11-12-10-13(18)5-7-15(12)17(19,20)21/h5,7,10,14H,2-4,6,8-9,11H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyFRHXFZCUTXIUKU-AWEZNQCLSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 119060434
3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
CID 97210003
3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 70708571
3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72901526
N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97206201
N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271
3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 110865151
N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 74246709
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The IUPAC name of N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide (CID 97197075) is N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide.
What is the SMILES notation for N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The canonical SMILES for N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide is CN1CCCC[C@H]1CCC(=O)NCc1cc(F)ccc1C(F)(F)F.
What is the InChIKey of N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The InChIKey is FRHXFZCUTXIUKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22F4N2O/c1-23-9-3-2-4-14(23)6-8-16(24)22-11-12-10-13(18)5-7-15(12)17(19,20)21/h5,7,10,14H,2-4,6,8-9,11H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide has a molecular weight of 346.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide is sourced from PubChem (CID 97197075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).