1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

C13H15F3N2O3 — CID 110885020

IUPAC1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCC(O)C1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)10-4-2-6-18(12(10)21)8-11(20)17-5-1-3-9(19)7-17/h2,4,6,9,19H,1,3,5,7-8H2
InChIKeyBCVZZSOIDRGDEB-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.85
Rot. Bonds2

About 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 110885020) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID110885020
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCC(O)C1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)10-4-2-6-18(12(10)21)8-11(20)17-5-1-3-9(19)7-17/h2,4,6,9,19H,1,3,5,7-8H2
InChIKeyBCVZZSOIDRGDEB-UHFFFAOYSA-N
XLogP0.85
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (CID 110885020) is 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCC(O)C1.
What is the InChIKey of 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is BCVZZSOIDRGDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)10-4-2-6-18(12(10)21)8-11(20)17-5-1-3-9(19)7-17/h2,4,6,9,19H,1,3,5,7-8H2.
What are the key properties of 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 110885020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).