5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one

C18H17F3N2O3 — CID 70750184

IUPAC5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-2-1-3-15(10-13)26-14-6-8-23(9-7-14)17(25)12-4-5-16(24)22-11-12/h1-5,10-11,14H,6-9H2,(H,22,24)
InChIKeyQUGVSSKYCMLJFD-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.08
Rot. Bonds3

About 5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one

5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70750184) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70750184
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-2-1-3-15(10-13)26-14-6-8-23(9-7-14)17(25)12-4-5-16(24)22-11-12/h1-5,10-11,14H,6-9H2,(H,22,24)
InChIKeyQUGVSSKYCMLJFD-UHFFFAOYSA-N
XLogP3.08
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 131948055
5-[(3S)-3-pyridin-4-yloxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124568635
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
5-(4-pyridin-2-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 71798575
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
5-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 172905000
5-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95550119
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67170684
5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 51092133

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70750184) is 5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is QUGVSSKYCMLJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)13-2-1-3-15(10-13)26-14-6-8-23(9-7-14)17(25)12-4-5-16(24)22-11-12/h1-5,10-11,14H,6-9H2,(H,22,24).
What are the key properties of 5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 366.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70750184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).