1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C17H15F3N4O2 — CID 95985613

IUPAC1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)16-23-22-14(26-16)12-2-1-7-24(9-12)15(25)11-4-3-10-5-6-21-13(10)8-11/h3-6,8,12,21H,1-2,7,9H2/t12-/m0/s1
InChIKeyLGYRVPYAWVRKBZ-LBPRGKRZSA-N
MW364.33 g/mol
LogP3.59
Rot. Bonds2

About 1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 95985613) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID95985613
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)16-23-22-14(26-16)12-2-1-7-24(9-12)15(25)11-4-3-10-5-6-21-13(10)8-11/h3-6,8,12,21H,1-2,7,9H2/t12-/m0/s1
InChIKeyLGYRVPYAWVRKBZ-LBPRGKRZSA-N
XLogP3.59
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540104
(2,6-difluorophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540125
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540055
1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793037
1H-indol-6-yl-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267583
2-methyl-6-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one
CID 95985593
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 11257794
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
CID 167956999
(4-methylthiadiazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540207
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

Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 95985613) is 1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of 1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is LGYRVPYAWVRKBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c18-17(19,20)16-23-22-14(26-16)12-2-1-7-24(9-12)15(25)11-4-3-10-5-6-21-13(10)8-11/h3-6,8,12,21H,1-2,7,9H2/t12-/m0/s1.
What are the key properties of 1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 364.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95985613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).