1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C15H20F3N3O3 — CID 56802445

IUPAC1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC(O)CN1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C15H20F3N3O3/c1-11(22)8-19-4-6-20(7-5-19)14(24)10-21-9-12(15(16,17)18)2-3-13(21)23/h2-3,9,11,22H,4-8,10H2,1H3
InChIKeyPJSQUNIDSHMKLC-UHFFFAOYSA-N
MW347.34 g/mol
LogP0.39
Rot. Bonds4

About 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 56802445) 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]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID56802445
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC(O)CN1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C15H20F3N3O3/c1-11(22)8-19-4-6-20(7-5-19)14(24)10-21-9-12(15(16,17)18)2-3-13(21)23/h2-3,9,11,22H,4-8,10H2,1H3
InChIKeyPJSQUNIDSHMKLC-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

Analyze 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 56802445) is 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is CC(O)CN1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is PJSQUNIDSHMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-11(22)8-19-4-6-20(7-5-19)14(24)10-21-9-12(15(16,17)18)2-3-13(21)23/h2-3,9,11,22H,4-8,10H2,1H3.
What are the key properties of 1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5-(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]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 56802445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).