6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C14H18F3N3O2 — CID 146122963

IUPAC6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCC1(C)CN(CC(F)(F)F)CCN1C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C14H18F3N3O2/c1-13(2)8-19(9-14(15,16)17)6-7-20(13)12(22)10-4-3-5-11(21)18-10/h3-5H,6-9H2,1-2H3,(H,18,21)
InChIKeyGPMPMCSHBFSHCC-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.47
Rot. Bonds2

About 6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one

6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 146122963) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID146122963
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCC1(C)CN(CC(F)(F)F)CCN1C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C14H18F3N3O2/c1-13(2)8-19(9-14(15,16)17)6-7-20(13)12(22)10-4-3-5-11(21)18-10/h3-5H,6-9H2,1-2H3,(H,18,21)
InChIKeyGPMPMCSHBFSHCC-UHFFFAOYSA-N
XLogP1.47
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45807140
2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide
CID 71971522
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]acetamide
CID 97223378
6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one
CID 126809836
6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 164635777
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449097
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449496
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-3-(methylamino)pyridin-2-one
CID 137449499
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457237
1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457655
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457659
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 139384011

Frequently Asked Questions

What is the IUPAC name of 6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 146122963) is 6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one is CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is GPMPMCSHBFSHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-13(2)8-19(9-14(15,16)17)6-7-20(13)12(22)10-4-3-5-11(21)18-10/h3-5H,6-9H2,1-2H3,(H,18,21).
What are the key properties of 6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 317.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 146122963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).