2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

C12H15F3N4O2 — CID 141418153

IUPAC2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCCC(Nc2ncc(C(F)(F)F)cn2)C1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)8-4-16-11(17-5-8)18-9-2-1-3-19(6-9)10(21)7-20/h4-5,9,20H,1-3,6-7H2,(H,16,17,18)
InChIKeyXBSORMBFPKYNIP-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.89
Rot. Bonds3

About 2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 141418153) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID141418153
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCCC(Nc2ncc(C(F)(F)F)cn2)C1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)8-4-16-11(17-5-8)18-9-2-1-3-19(6-9)10(21)7-20/h4-5,9,20H,1-3,6-7H2,(H,16,17,18)
InChIKeyXBSORMBFPKYNIP-UHFFFAOYSA-N
XLogP0.89
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-[[2-[[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 90339028
N-[(2R)-2-[[2-[[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]but-2-ynamide
CID 129132460
2-chloro-1-[(3S)-3-[3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 146567789
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124575482
[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 134503433
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168827322
2-hydroxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
CID 56903793
[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea
CID 177272345
N-[(1S,2R)-2-[[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]propanamide
CID 129132689
1-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]prop-2-en-1-one
CID 155353379
(2R)-2,3-dihydroxy-1-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
CID 99867372

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (CID 141418153) is 2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is O=C(CO)N1CCCC(Nc2ncc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is XBSORMBFPKYNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)8-4-16-11(17-5-8)18-9-2-1-3-19(6-9)10(21)7-20/h4-5,9,20H,1-3,6-7H2,(H,16,17,18).
What are the key properties of 2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 304.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 141418153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).