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

C14H18F3N3O3 — CID 110885018

IUPAC1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H18F3N3O3/c15-14(16,17)11-2-1-3-20(13(11)23)10-12(22)19-6-4-18(5-7-19)8-9-21/h1-3,21H,4-10H2
InChIKeyMVTTWGFSZJEOTN-UHFFFAOYSA-N
MW333.31 g/mol
LogP0.00
Rot. Bonds4

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

1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 110885018) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID110885018
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H18F3N3O3/c15-14(16,17)11-2-1-3-20(13(11)23)10-12(22)19-6-4-18(5-7-19)8-9-21/h1-3,21H,4-10H2
InChIKeyMVTTWGFSZJEOTN-UHFFFAOYSA-N
XLogP0.00
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 50.00
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-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (CID 110885018) is 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is MVTTWGFSZJEOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c15-14(16,17)11-2-1-3-20(13(11)23)10-12(22)19-6-4-18(5-7-19)8-9-21/h1-3,21H,4-10H2.
What are the key properties of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 333.31 g/mol, XLogP of 0.00, 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-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 110885018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).