3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one

C13H15F3N2O3 — CID 136558188

IUPAC3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOC1CCN(C(=O)c2cc(C(F)(F)F)c[nH]c2=O)CC1
InChIInChI=1S/C13H15F3N2O3/c1-21-9-2-4-18(5-3-9)12(20)10-6-8(13(14,15)16)7-17-11(10)19/h6-7,9H,2-5H2,1H3,(H,17,19)
InChIKeyFUEJYPICCNZFFK-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.64
Rot. Bonds2

About 3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one

3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 136558188) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID136558188
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOC1CCN(C(=O)c2cc(C(F)(F)F)c[nH]c2=O)CC1
InChIInChI=1S/C13H15F3N2O3/c1-21-9-2-4-18(5-3-9)12(20)10-6-8(13(14,15)16)7-17-11(10)19/h6-7,9H,2-5H2,1H3,(H,17,19)
InChIKeyFUEJYPICCNZFFK-UHFFFAOYSA-N
XLogP1.64
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 136558188) is 3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one is COC1CCN(C(=O)c2cc(C(F)(F)F)c[nH]c2=O)CC1.
What is the InChIKey of 3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FUEJYPICCNZFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-21-9-2-4-18(5-3-9)12(20)10-6-8(13(14,15)16)7-17-11(10)19/h6-7,9H,2-5H2,1H3,(H,17,19).
What are the key properties of 3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 304.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypiperidine-1-carbonyl)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 136558188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).