1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone

C16H17F3N4O — CID 24734928

IUPAC1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nccc3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C16H17F3N4O/c1-10(24)23-8-5-11(6-9-23)21-15-12-2-3-14(16(17,18)19)22-13(12)4-7-20-15/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21)
InChIKeyDALYFWITBBYPLB-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.07
Rot. Bonds2

About 1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone

1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone (PubChem CID 24734928) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone
PubChem CID24734928
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nccc3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C16H17F3N4O/c1-10(24)23-8-5-11(6-9-23)21-15-12-2-3-14(16(17,18)19)22-13(12)4-7-20-15/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21)
InChIKeyDALYFWITBBYPLB-UHFFFAOYSA-N
XLogP3.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]methyl]benzonitrile
CID 24734913
2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876891
(1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone
CID 24735861
1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 175818017
1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea
CID 24735472
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 89480837
1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone
CID 103825805
N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride
CID 44890802
4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 53258698
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 172893481
[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine
CID 24735477

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone (CID 24734928) is 1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2nccc3nc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of 1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is DALYFWITBBYPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-10(24)23-8-5-11(6-9-23)21-15-12-2-3-14(16(17,18)19)22-13(12)4-7-20-15/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21).
What are the key properties of 1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 338.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 24734928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).