3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C16H22F3N3O2 — CID 95895538

IUPAC3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN(C)CC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H22F3N3O2/c1-21(2)10-8-11-5-3-4-9-22(11)15(24)12-6-7-13(16(17,18)19)20-14(12)23/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyANQCCXBMEVZGAX-LLVKDONJSA-N
MW345.37 g/mol
LogP2.34
Rot. Bonds4

About 3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 95895538) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID95895538
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN(C)CC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H22F3N3O2/c1-21(2)10-8-11-5-3-4-9-22(11)15(24)12-6-7-13(16(17,18)19)20-14(12)23/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyANQCCXBMEVZGAX-LLVKDONJSA-N
XLogP2.34
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63032313
3-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 79403200
[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[4-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95872305
3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103863308
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
CID 95861478
3-(3-hydroxyazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 63104545
3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 122147899
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
3-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976883
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
N-cyclohexyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60708032

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 95895538) is 3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is CN(C)CC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ANQCCXBMEVZGAX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-21(2)10-8-11-5-3-4-9-22(11)15(24)12-6-7-13(16(17,18)19)20-14(12)23/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,23)/t11-/m1/s1.
What are the key properties of 3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 345.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 95895538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).