3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one

C21H23F3N2O3 — CID 46100223

IUPAC3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one
SMILESO=C(CCc1cccnc1)N1CCOC(COCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)18-5-1-3-17(11-18)14-28-15-19-13-26(9-10-29-19)20(27)7-6-16-4-2-8-25-12-16/h1-5,8,11-12,19H,6-7,9-10,13-15H2
InChIKeyGJWHRIDIIQKQCD-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.48
Rot. Bonds7

About 3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one

3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one (PubChem CID 46100223) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one
PubChem CID46100223
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one
SMILESO=C(CCc1cccnc1)N1CCOC(COCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)18-5-1-3-17(11-18)14-28-15-19-13-26(9-10-29-19)20(27)7-6-16-4-2-8-25-12-16/h1-5,8,11-12,19H,6-7,9-10,13-15H2
InChIKeyGJWHRIDIIQKQCD-UHFFFAOYSA-N
XLogP3.48
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-Phenyl-4-[[[3,5-bis(trifluoromethyl)benzyl]oxy]methyl]piperidine-1-yl]-2-(4-pyridinyl)ethanone
CID 10578269
1-[4-Phenyl-4-[[[3,5-bis(trifluoromethyl)benzyl]oxy]methyl]piperidine-1-yl]-2-(3-pyridinyl)ethanone
CID 10554361
1-[4-Phenyl-4-[[[3,5-bis(trifluoromethyl)benzyl]oxy]methyl]piperidine-1-yl]-2-(2-pyridinyl)ethanone
CID 10840066
(NE)-N-[[1-[2-[2-[2-[2-(4-benzhydryloxypiperidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine;2,2,2-trifluoroacetate
CID 136030686
(NE)-N-[[1-[2-[2-[2-(4-benzhydryloxypiperidin-1-yl)ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine;2,2,2-trifluoroacetate
CID 136030707
3-[[3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine
CID 44211405
[2-(4-Fluorophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42949360
6-(3-pyridinylmethoxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-4-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-2-one
CID 45162409
[2-(Phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 46100230
2-(4-Fluorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 53517064
3-[({1-[3-(2-Fluorophenyl)propanoyl]-3-piperidinyl}oxy)methyl]pyridine
CID 70712461
3-[({1-[(Benzyloxy)acetyl]-3-piperidinyl}oxy)methyl]pyridine
CID 70716611

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one (CID 46100223) is 3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one is O=C(CCc1cccnc1)N1CCOC(COCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one?
The InChIKey is GJWHRIDIIQKQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c22-21(23,24)18-5-1-3-17(11-18)14-28-15-19-13-26(9-10-29-19)20(27)7-6-16-4-2-8-25-12-16/h1-5,8,11-12,19H,6-7,9-10,13-15H2.
What are the key properties of 3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one?
3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one has a molecular weight of 408.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 46100223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).