4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one

C21H21F3N2O3 — CID 45232640

IUPAC4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCCC(C(=O)c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C21H21F3N2O3/c1-12-10-13(2)25-19(28)17(12)20(29)26-9-3-4-15(11-26)18(27)14-5-7-16(8-6-14)21(22,23)24/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,25,28)
InChIKeySZLBVUUAVYIHAO-UHFFFAOYSA-N
MW406.40 g/mol
LogP3.75
Rot. Bonds3

About 4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one

4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 45232640) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is 4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID45232640
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC Name4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCCC(C(=O)c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C21H21F3N2O3/c1-12-10-13(2)25-19(28)17(12)20(29)26-9-3-4-15(11-26)18(27)14-5-7-16(8-6-14)21(22,23)24/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,25,28)
InChIKeySZLBVUUAVYIHAO-UHFFFAOYSA-N
XLogP3.75
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 45206398
2-amino-2-methyl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 72850239
5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 56915916
1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 25308165
[(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 26332398
(3-chlorophenyl)-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
CID 42288727
ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate
CID 45232941
5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 71919840
(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 95773916
[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45211487
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 45232640) is 4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCCC(C(=O)c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is SZLBVUUAVYIHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3/c1-12-10-13(2)25-19(28)17(12)20(29)26-9-3-4-15(11-26)18(27)14-5-7-16(8-6-14)21(22,23)24/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,25,28).
What are the key properties of 4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 406.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 45232640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).