[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone

C17H19F3N4O — CID 124694662

IUPAC[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
SMILESC[C@H]1C[C@H](N)CCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H19F3N4O/c1-11-9-13(21)5-7-23(11)16(25)12-3-2-4-14(10-12)24-8-6-15(22-24)17(18,19)20/h2-4,6,8,10-11,13H,5,7,9,21H2,1H3/t11-,13+/m0/s1
InChIKeyJAQZHGORXSIPGD-WCQYABFASA-N
MW352.36 g/mol
LogP2.84
Rot. Bonds2

About [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone

[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone (PubChem CID 124694662) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone.

Molecular Properties

Compound Name[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
PubChem CID124694662
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
SMILESC[C@H]1C[C@H](N)CCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H19F3N4O/c1-11-9-13(21)5-7-23(11)16(25)12-3-2-4-14(10-12)24-8-6-15(22-24)17(18,19)20/h2-4,6,8,10-11,13H,5,7,9,21H2,1H3/t11-,13+/m0/s1
InChIKeyJAQZHGORXSIPGD-WCQYABFASA-N
XLogP2.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 124692654
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 124691868
[2-(1-aminoethyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
CID 119437375
(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
CID 122149167
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 167871863
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
CID 120657928
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 124690212
N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 120557791
(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115312129
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119656567
N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71969427
(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 122149214

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone?
The IUPAC name of [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone (CID 124694662) is [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone.
What is the SMILES notation for [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone?
The canonical SMILES for [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone is C[C@H]1C[C@H](N)CCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone?
The InChIKey is JAQZHGORXSIPGD-WCQYABFASA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-11-9-13(21)5-7-23(11)16(25)12-3-2-4-14(10-12)24-8-6-15(22-24)17(18,19)20/h2-4,6,8,10-11,13H,5,7,9,21H2,1H3/t11-,13+/m0/s1.
What are the key properties of [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone?
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone has a molecular weight of 352.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone is sourced from PubChem (CID 124694662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).