(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone

C20H19F3N2O3 — CID 24688123

IUPAC(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1
InChIInChI=1S/C20H19F3N2O3/c1-28-16-5-2-13(3-6-16)18(26)14-8-10-25(11-9-14)19(27)15-4-7-17(24-12-15)20(21,22)23/h2-7,12,14H,8-11H2,1H3
InChIKeyCIIAVFHOSIYKOH-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.84
Rot. Bonds4

About (4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone (PubChem CID 24688123) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
PubChem CID24688123
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1
InChIInChI=1S/C20H19F3N2O3/c1-28-16-5-2-13(3-6-16)18(26)14-8-10-25(11-9-14)19(27)15-4-7-17(24-12-15)20(21,22)23/h2-7,12,14H,8-11H2,1H3
InChIKeyCIIAVFHOSIYKOH-UHFFFAOYSA-N
XLogP3.84
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073553
[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174802403
[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 41307097
[4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119423684
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
3-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]cyclobutan-1-one
CID 138978128

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone (CID 24688123) is (4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone?
The InChIKey is CIIAVFHOSIYKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-28-16-5-2-13(3-6-16)18(26)14-8-10-25(11-9-14)19(27)15-4-7-17(24-12-15)20(21,22)23/h2-7,12,14H,8-11H2,1H3.
What are the key properties of (4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone has a molecular weight of 392.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 24688123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).