1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one

C16H21F3N2O3 — CID 72847410

IUPAC1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCCCOC1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1
InChIInChI=1S/C16H21F3N2O3/c1-2-9-24-12-5-3-7-20(10-12)14(22)11-21-8-4-6-13(15(21)23)16(17,18)19/h4,6,8,12H,2-3,5,7,9-11H2,1H3
InChIKeyHIDDRTJLVCYDHY-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one

1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 72847410) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID72847410
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCCCOC1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1
InChIInChI=1S/C16H21F3N2O3/c1-2-9-24-12-5-3-7-20(10-12)14(22)11-21-8-4-6-13(15(21)23)16(17,18)19/h4,6,8,12H,2-3,5,7,9-11H2,1H3
InChIKeyHIDDRTJLVCYDHY-UHFFFAOYSA-N
XLogP2.28
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one (CID 72847410) is 1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one is CCCOC1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1.
What is the InChIKey of 1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is HIDDRTJLVCYDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-2-9-24-12-5-3-7-20(10-12)14(22)11-21-8-4-6-13(15(21)23)16(17,18)19/h4,6,8,12H,2-3,5,7,9-11H2,1H3.
What are the key properties of 1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one?
1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 346.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72847410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).