1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

C15H20F3N3O3 — CID 95606990

IUPAC1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESC[C@@H](O)CN1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1
InChIInChI=1S/C15H20F3N3O3/c1-11(22)9-19-5-7-20(8-6-19)13(23)10-21-4-2-3-12(14(21)24)15(16,17)18/h2-4,11,22H,5-10H2,1H3/t11-/m1/s1
InChIKeyFCVUGNUELROTEV-LLVKDONJSA-N
MW347.34 g/mol
LogP0.39
Rot. Bonds4

About 1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 95606990) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID95606990
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESC[C@@H](O)CN1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1
InChIInChI=1S/C15H20F3N3O3/c1-11(22)9-19-5-7-20(8-6-19)13(23)10-21-4-2-3-12(14(21)24)15(16,17)18/h2-4,11,22H,5-10H2,1H3/t11-/m1/s1
InChIKeyFCVUGNUELROTEV-LLVKDONJSA-N
XLogP0.39
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one with MolForge

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Related Compounds

4-[4-(2-Hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 56803082
1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72847410
N-methyl-N-(2-morpholin-4-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 53569202
1-[2-[4-(2-Methylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 55542843
N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide
CID 55544001
1-[2-[4-(2-Hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 56802445
1-[2-[4-(2-Hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 56802471
1-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 60382571
1-[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 71899495
N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]acetamide
CID 72838670
N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 78855387
1-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 95179562

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (CID 95606990) is 1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is C[C@@H](O)CN1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1.
What is the InChIKey of 1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is FCVUGNUELROTEV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-11(22)9-19-5-7-20(8-6-19)13(23)10-21-4-2-3-12(14(21)24)15(16,17)18/h2-4,11,22H,5-10H2,1H3/t11-/m1/s1.
What are the key properties of 1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 347.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 95606990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).