1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one

C13H18F3N3O — CID 60932164

IUPAC1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
SMILESCn1cc(NC2CCN(CC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C13H18F3N3O/c1-18-8-11(2-3-12(18)20)17-10-4-6-19(7-5-10)9-13(14,15)16/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyJTBVXDVOKMFBNK-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.82
Rot. Bonds3

About 1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one

1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one (PubChem CID 60932164) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
PubChem CID60932164
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
SMILESCn1cc(NC2CCN(CC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C13H18F3N3O/c1-18-8-11(2-3-12(18)20)17-10-4-6-19(7-5-10)9-13(14,15)16/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyJTBVXDVOKMFBNK-UHFFFAOYSA-N
XLogP1.82
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine
CID 144655800
5-(cyclohexylamino)-1-methylpyridin-2-one
CID 50988993
1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one
CID 54866098
N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43760602
1-methyl-5-(piperidin-4-ylamino)pyridin-2-one
CID 61020667
1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one
CID 60932217
N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 66352549
5-(cyclopropylamino)-1-ethylpyridin-2-one
CID 103439175
1-methyl-5-[(3-methylcyclobutyl)amino]pyridin-2-one
CID 103561708
1-methyl-5-(pyrrolidin-3-ylamino)pyridin-2-one
CID 79730284
4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 154662447
1-methyl-5-[(3-methylcyclohexyl)amino]pyridin-2-one
CID 60932533

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one (CID 60932164) is 1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one is Cn1cc(NC2CCN(CC(F)(F)F)CC2)ccc1=O.
What is the InChIKey of 1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one?
The InChIKey is JTBVXDVOKMFBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-18-8-11(2-3-12(18)20)17-10-4-6-19(7-5-10)9-13(14,15)16/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of 1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one?
1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one has a molecular weight of 289.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one is sourced from PubChem (CID 60932164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).