1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone

C22H22F3N3O2 — CID 166105198

IUPAC1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESC[C@H]1C[C@H](COc2cccnc2C(F)(F)F)CN(C(=O)c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C22H22F3N3O2/c1-14-9-15(13-30-19-3-2-7-27-20(19)22(23,24)25)12-28(11-14)21(29)17-5-4-16-6-8-26-18(16)10-17/h2-8,10,14-15,26H,9,11-13H2,1H3/t14-,15-/m0/s1
InChIKeyTWQLVIGCMHJACP-GJZGRUSLSA-N
MW417.43 g/mol
LogP4.76
Rot. Bonds4

About 1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone

1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone (PubChem CID 166105198) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
PubChem CID166105198
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESC[C@H]1C[C@H](COc2cccnc2C(F)(F)F)CN(C(=O)c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C22H22F3N3O2/c1-14-9-15(13-30-19-3-2-7-27-20(19)22(23,24)25)12-28(11-14)21(29)17-5-4-16-6-8-26-18(16)10-17/h2-8,10,14-15,26H,9,11-13H2,1H3/t14-,15-/m0/s1
InChIKeyTWQLVIGCMHJACP-GJZGRUSLSA-N
XLogP4.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine
CID 166104926
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
CID 126857921
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(1H-indol-6-yl)methanone
CID 121184526
ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone
CID 166104335
[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-7-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166105286
1H-indol-6-yl-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267583
[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166104437
methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate
CID 170364090
[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone
CID 46880773
(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983948

Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone (CID 166105198) is 1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone is C[C@H]1C[C@H](COc2cccnc2C(F)(F)F)CN(C(=O)c2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The InChIKey is TWQLVIGCMHJACP-GJZGRUSLSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-14-9-15(13-30-19-3-2-7-27-20(19)22(23,24)25)12-28(11-14)21(29)17-5-4-16-6-8-26-18(16)10-17/h2-8,10,14-15,26H,9,11-13H2,1H3/t14-,15-/m0/s1.
What are the key properties of 1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone has a molecular weight of 417.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 166105198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).