5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one

C19H19F3N2O2 — CID 91955187

IUPAC5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCC1CCCN(C(=O)c2ccc(=O)n(-c3cccc(C(F)(F)F)c3)c2)C1
InChIInChI=1S/C19H19F3N2O2/c1-13-4-3-9-23(11-13)18(26)14-7-8-17(25)24(12-14)16-6-2-5-15(10-16)19(20,21)22/h2,5-8,10,12-13H,3-4,9,11H2,1H3
InChIKeyZHFDNZVJKRPNGS-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.73
Rot. Bonds2

About 5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one

5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 91955187) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID91955187
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCC1CCCN(C(=O)c2ccc(=O)n(-c3cccc(C(F)(F)F)c3)c2)C1
InChIInChI=1S/C19H19F3N2O2/c1-13-4-3-9-23(11-13)18(26)14-7-8-17(25)24(12-14)16-6-2-5-15(10-16)19(20,21)22/h2,5-8,10,12-13H,3-4,9,11H2,1H3
InChIKeyZHFDNZVJKRPNGS-UHFFFAOYSA-N
XLogP3.73
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one
CID 97465061
(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109240749
ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 91954923
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 91955190
1-(4-fluorophenyl)-5-[3-(methoxymethyl)piperidine-1-carbonyl]pyridin-2-one
CID 71975351
[4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 62155715
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one (CID 91955187) is 5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one is CC1CCCN(C(=O)c2ccc(=O)n(-c3cccc(C(F)(F)F)c3)c2)C1.
What is the InChIKey of 5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is ZHFDNZVJKRPNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-13-4-3-9-23(11-13)18(26)14-7-8-17(25)24(12-14)16-6-2-5-15(10-16)19(20,21)22/h2,5-8,10,12-13H,3-4,9,11H2,1H3.
What are the key properties of 5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 364.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 91955187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).