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

C20H21F3N2O2 — CID 45228045

IUPAC3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one
SMILESO=C(CCc1ccncc1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)17-3-1-2-16(12-17)13-18-14-25(10-11-27-18)19(26)5-4-15-6-8-24-9-7-15/h1-3,6-9,12,18H,4-5,10-11,13-14H2
InChIKeyLZZOULZDIVMZTN-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.50
Rot. Bonds5

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

3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one (PubChem CID 45228045) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one
PubChem CID45228045
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one
SMILESO=C(CCc1ccncc1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)17-3-1-2-16(12-17)13-18-14-25(10-11-27-18)19(26)5-4-15-6-8-24-9-7-15/h1-3,6-9,12,18H,4-5,10-11,13-14H2
InChIKeyLZZOULZDIVMZTN-UHFFFAOYSA-N
XLogP3.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one (CID 45228045) is 3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one is O=C(CCc1ccncc1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one?
The InChIKey is LZZOULZDIVMZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)17-3-1-2-16(12-17)13-18-14-25(10-11-27-18)19(26)5-4-15-6-8-24-9-7-15/h1-3,6-9,12,18H,4-5,10-11,13-14H2.
What are the key properties of 3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one?
3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one has a molecular weight of 378.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 45228045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).