[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone

C22H26F6N2O3 — CID 20722864

IUPAC[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
SMILESCC12CC(C(=O)N3CCOCC3)C(CCC1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2
InChIInChI=1S/C22H26F6N2O3/c1-20-11-16(19(31)30-4-6-32-7-5-30)17(29-20)2-3-18(20)33-12-13-8-14(21(23,24)25)10-15(9-13)22(26,27)28/h8-10,16-18,29H,2-7,11-12H2,1H3
InChIKeyCSXUMHIOADCLFO-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.00
Rot. Bonds4

About [2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone

[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone (PubChem CID 20722864) has the molecular formula C22H26F6N2O3 and a molecular weight of 480.45 g/mol. Its IUPAC name is [2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
PubChem CID20722864
Molecular FormulaC22H26F6N2O3
Molecular Weight480.45 g/mol
Exact Mass480.18
IUPAC Name[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
SMILESCC12CC(C(=O)N3CCOCC3)C(CCC1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2
InChIInChI=1S/C22H26F6N2O3/c1-20-11-16(19(31)30-4-6-32-7-5-30)17(29-20)2-3-18(20)33-12-13-8-14(21(23,24)25)10-15(9-13)22(26,27)28/h8-10,16-18,29H,2-7,11-12H2,1H3
InChIKeyCSXUMHIOADCLFO-UHFFFAOYSA-N
XLogP4.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 58633899
CID 58633899
CID 20722827
CID 20722827
CID 20722828
CID 20722828
CID 20722832
CID 20722832
CID 20722860
CID 20722860
CID 20722861
CID 20722861
CID 20722862
CID 20722862
CID 20722863
CID 20722863
CID 20722865
CID 20722865
CID 20722869
CID 20722869
CID 20722872
CID 20722872
CID 20722873
CID 20722873

Frequently Asked Questions

What is the IUPAC name of [2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone (CID 20722864) is [2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone is CC12CC(C(=O)N3CCOCC3)C(CCC1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2.
What is the InChIKey of [2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone?
The InChIKey is CSXUMHIOADCLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F6N2O3/c1-20-11-16(19(31)30-4-6-32-7-5-30)17(29-20)2-3-18(20)33-12-13-8-14(21(23,24)25)10-15(9-13)22(26,27)28/h8-10,16-18,29H,2-7,11-12H2,1H3.
What are the key properties of [2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone?
[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone has a molecular weight of 480.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-8-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 20722864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).