4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile

C19H16F3N3O2 — CID 155219080

IUPAC4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)17-10-16(4-3-13(17)11-23)27-15-5-8-25(9-6-15)18(26)14-2-1-7-24-12-14/h1-4,7,10,12,15H,5-6,8-9H2
InChIKeyKIGPIKIOJXMAOH-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.66
Rot. Bonds3

About 4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile

4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile (PubChem CID 155219080) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile
PubChem CID155219080
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)17-10-16(4-3-13(17)11-23)27-15-5-8-25(9-6-15)18(26)14-2-1-7-24-12-14/h1-4,7,10,12,15H,5-6,8-9H2
InChIKeyKIGPIKIOJXMAOH-UHFFFAOYSA-N
XLogP3.66
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-cyano-3-(trifluoromethyl)phenoxy]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]pyridine-3-carboxamide
CID 155219142
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile
CID 46181472
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 133359772
pyridin-3-yl-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 97158981
N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 126460807
[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42147776
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710844
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110411687

Frequently Asked Questions

What is the IUPAC name of 4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile (CID 155219080) is 4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile?
The InChIKey is KIGPIKIOJXMAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)17-10-16(4-3-13(17)11-23)27-15-5-8-25(9-6-15)18(26)14-2-1-7-24-12-14/h1-4,7,10,12,15H,5-6,8-9H2.
What are the key properties of 4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile?
4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile has a molecular weight of 375.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 155219080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).