2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone

C25H23F3N2O2 — CID 125005496

IUPAC2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1
InChIInChI=1S/C25H23F3N2O2/c26-25(27,28)21-11-5-4-9-19(21)16-20-10-6-12-22(29-20)23-17-30(13-14-32-23)24(31)15-18-7-2-1-3-8-18/h1-12,23H,13-17H2/t23-/m0/s1
InChIKeyTZTNWTBPDTXNMD-QHCPKHFHSA-N
MW440.47 g/mol
LogP4.83
Rot. Bonds5

About 2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone

2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone (PubChem CID 125005496) has the molecular formula C25H23F3N2O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is 2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone
PubChem CID125005496
Molecular FormulaC25H23F3N2O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1
InChIInChI=1S/C25H23F3N2O2/c26-25(27,28)21-11-5-4-9-19(21)16-20-10-6-12-22(29-20)23-17-30(13-14-32-23)24(31)15-18-7-2-1-3-8-18/h1-12,23H,13-17H2/t23-/m0/s1
InChIKeyTZTNWTBPDTXNMD-QHCPKHFHSA-N
XLogP4.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 127249939
(2R)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
CID 125008958
(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
CID 95970007
[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124990500
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442
2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250154
1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124951977
[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124976913
N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 125007892
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250000
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 125020266

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone (CID 125005496) is 2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone is O=C(Cc1ccccc1)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1.
What is the InChIKey of 2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
The InChIKey is TZTNWTBPDTXNMD-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H23F3N2O2/c26-25(27,28)21-11-5-4-9-19(21)16-20-10-6-12-22(29-20)23-17-30(13-14-32-23)24(31)15-18-7-2-1-3-8-18/h1-12,23H,13-17H2/t23-/m0/s1.
What are the key properties of 2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone has a molecular weight of 440.47 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 125005496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).