3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C13H16F3N3O2 — CID 122147899

IUPAC3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC1CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC(C)N1
InChIInChI=1S/C13H16F3N3O2/c1-7-5-19(6-8(2)17-7)12(21)9-3-4-10(13(14,15)16)18-11(9)20/h3-4,7-8,17H,5-6H2,1-2H3,(H,18,20)
InChIKeyDAJFDERLZDRTRE-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.22
Rot. Bonds1

About 3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 122147899) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID122147899
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC1CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC(C)N1
InChIInChI=1S/C13H16F3N3O2/c1-7-5-19(6-8(2)17-7)12(21)9-3-4-10(13(14,15)16)18-11(9)20/h3-4,7-8,17H,5-6H2,1-2H3,(H,18,20)
InChIKeyDAJFDERLZDRTRE-UHFFFAOYSA-N
XLogP1.22
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 79403200
3-(3-hydroxyazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 63104545
(3S,4S)-4-cyclopropyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 72898205
3-(4-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43416114
1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63032313
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
CID 120748597
6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56862466
[4-bromo-2-(trifluoromethyl)phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 107333137
3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 154798042
(2-bromo-4-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564487
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 47017393
(2-chloro-4-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63863883

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 122147899) is 3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is CC1CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC(C)N1.
What is the InChIKey of 3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is DAJFDERLZDRTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-7-5-19(6-8(2)17-7)12(21)9-3-4-10(13(14,15)16)18-11(9)20/h3-4,7-8,17H,5-6H2,1-2H3,(H,18,20).
What are the key properties of 3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 303.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 122147899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).