[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate

C17H21F3N2O3 — CID 174802403

IUPAC[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C17H21F3N2O3/c1-16(2,3)15(24)25-22-8-6-11(7-9-22)14(23)12-4-5-13(21-10-12)17(18,19)20/h4-5,10-11H,6-9H2,1-3H3
InChIKeyUBZQSZVRRYRPIU-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.50
Rot. Bonds3

About [4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate

[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174802403) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is [4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174802403
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C17H21F3N2O3/c1-16(2,3)15(24)25-22-8-6-11(7-9-22)14(23)12-4-5-13(21-10-12)17(18,19)20/h4-5,10-11H,6-9H2,1-3H3
InChIKeyUBZQSZVRRYRPIU-UHFFFAOYSA-N
XLogP3.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174578442
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123
[4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175261398
[(3R)-3-(4-chloro-3-fluorobenzoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174803573
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
(4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone
CID 123142194
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784

Frequently Asked Questions

What is the IUPAC name of [4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174802403) is [4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(C(=O)c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of [4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is UBZQSZVRRYRPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-16(2,3)15(24)25-22-8-6-11(7-9-22)14(23)12-4-5-13(21-10-12)17(18,19)20/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of [4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 358.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174802403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).