2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile

C21H17F3N4O2 — CID 166105197

IUPAC2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)cnc1OC1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)16-9-15(11-25)19(27-12-16)30-17-4-7-28(8-5-17)20(29)14-2-1-13-3-6-26-18(13)10-14/h1-3,6,9-10,12,17,26H,4-5,7-8H2
InChIKeyVGENEXQMTOTQCS-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.14
Rot. Bonds3

About 2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile

2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 166105197) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is 2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID166105197
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC Name2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)cnc1OC1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)16-9-15(11-25)19(27-12-16)30-17-4-7-28(8-5-17)20(29)14-2-1-13-3-6-26-18(13)10-14/h1-3,6,9-10,12,17,26H,4-5,7-8H2
InChIKeyVGENEXQMTOTQCS-UHFFFAOYSA-N
XLogP4.14
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone
CID 166104335
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 71799506
3-[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636546
(4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone
CID 75403252
1H-indol-6-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627672
4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 155219080
1H-indol-6-yl-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267583
[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 146135225
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 162748964
2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799041
5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70750184

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile (CID 166105197) is 2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cc(C(F)(F)F)cnc1OC1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of 2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is VGENEXQMTOTQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c22-21(23,24)16-9-15(11-25)19(27-12-16)30-17-4-7-28(8-5-17)20(29)14-2-1-13-3-6-26-18(13)10-14/h1-3,6,9-10,12,17,26H,4-5,7-8H2.
What are the key properties of 2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile?
2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 414.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 166105197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).