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

C15H20F3N3O3 — CID 56802471

IUPAC1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCC(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
InChIKeyFCVUGNUELROTEV-UHFFFAOYSA-N
MW347.34 g/mol
LogP0.39
Rot. Bonds4

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

1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 56802471) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID56802471
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCC(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
InChIKeyFCVUGNUELROTEV-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (CID 56802471) is 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is CC(O)CN1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is FCVUGNUELROTEV-UHFFFAOYSA-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.
What are the key properties of 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
1-[2-[4-(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-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 56802471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).