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

C23H23F3N2O2 — CID 42804519

IUPAC3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESCn1cc(C(CC(=O)N2CCOCC2)c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H23F3N2O2/c1-27-15-19(17-7-3-5-9-21(17)27)18(14-22(29)28-10-12-30-13-11-28)16-6-2-4-8-20(16)23(24,25)26/h2-9,15,18H,10-14H2,1H3
InChIKeyFJIFCUUCESEORP-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.58
Rot. Bonds4

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

3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 42804519) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one
PubChem CID42804519
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC Name3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESCn1cc(C(CC(=O)N2CCOCC2)c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H23F3N2O2/c1-27-15-19(17-7-3-5-9-21(17)27)18(14-22(29)28-10-12-30-13-11-28)16-6-2-4-8-20(16)23(24,25)26/h2-9,15,18H,10-14H2,1H3
InChIKeyFJIFCUUCESEORP-UHFFFAOYSA-N
XLogP4.58
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one
CID 42774774
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 42774723
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one
CID 42774748
(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 98762253
(3R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 93125113
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-yl-3-phenylpropan-1-one
CID 42774287
1-(4-benzylpiperazin-1-yl)-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 4273313
(3S)-1-(4-benzhydrylpiperazin-1-yl)-3-(3-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 93122576
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 98926907
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248673
3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 42774836

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one (CID 42804519) is 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one is Cn1cc(C(CC(=O)N2CCOCC2)c2ccccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is FJIFCUUCESEORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O2/c1-27-15-19(17-7-3-5-9-21(17)27)18(14-22(29)28-10-12-30-13-11-28)16-6-2-4-8-20(16)23(24,25)26/h2-9,15,18H,10-14H2,1H3.
What are the key properties of 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one?
3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 416.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 42804519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).