[1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C20H19F3N2O2 — CID 45249229

IUPAC[1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1ncccc1C(=O)N1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H19F3N2O2/c1-13-17(8-3-9-24-13)19(27)25-10-4-6-15(12-25)18(26)14-5-2-7-16(11-14)20(21,22)23/h2-3,5,7-9,11,15H,4,6,10,12H2,1H3
InChIKeyJVMFVFZTVMADGG-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.14
Rot. Bonds3

About [1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 45249229) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is [1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID45249229
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name[1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1ncccc1C(=O)N1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H19F3N2O2/c1-13-17(8-3-9-24-13)19(27)25-10-4-6-15(12-25)18(26)14-5-2-7-16(11-14)20(21,22)23/h2-3,5,7-9,11,15H,4,6,10,12H2,1H3
InChIKeyJVMFVFZTVMADGG-UHFFFAOYSA-N
XLogP4.14
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 42392398
[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45218504
(E)-3-pyridin-2-yl-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]prop-2-en-1-one
CID 45185730
[1-[2-(tetrazol-1-yl)pyridine-4-carbonyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45173729
(2-methylsulfanylphenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 45200802
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
tert-butyl (3S)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 97309183
[(3S)-1-(3-chlorothiophene-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25308789
oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone
CID 42565887
methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate
CID 45240231
1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 26331996
[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 45249229) is [1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is Cc1ncccc1C(=O)N1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of [1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is JVMFVFZTVMADGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-13-17(8-3-9-24-13)19(27)25-10-4-6-15(12-25)18(26)14-5-2-7-16(11-14)20(21,22)23/h2-3,5,7-9,11,15H,4,6,10,12H2,1H3.
What are the key properties of [1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 376.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 45249229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).