8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one

C22H19F3N2O4 — CID 67169812

IUPAC8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1cccc2c(=O)cc[nH]c12)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C22H19F3N2O4/c23-22(24,25)31-16-4-1-3-15(13-16)30-14-8-11-27(12-9-14)21(29)18-6-2-5-17-19(28)7-10-26-20(17)18/h1-7,10,13-14H,8-9,11-12H2,(H,26,28)
InChIKeyRGBBMLHMONTSBH-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.11
Rot. Bonds4

About 8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one

8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 67169812) has the molecular formula C22H19F3N2O4 and a molecular weight of 432.40 g/mol. Its IUPAC name is 8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID67169812
Molecular FormulaC22H19F3N2O4
Molecular Weight432.40 g/mol
Exact Mass432.13
IUPAC Name8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1cccc2c(=O)cc[nH]c12)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C22H19F3N2O4/c23-22(24,25)31-16-4-1-3-15(13-16)30-14-8-11-27(12-9-14)21(29)18-6-2-5-17-19(28)7-10-26-20(17)18/h1-7,10,13-14H,8-9,11-12H2,(H,26,28)
InChIKeyRGBBMLHMONTSBH-UHFFFAOYSA-N
XLogP4.11
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168967
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67169362
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168848
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 53235099
2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
CID 67170379
(5-methoxypyrazin-2-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67169671
1,8-naphthyridin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67171137
2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide
CID 70664464
1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70742237

Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one (CID 67169812) is 8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one is O=C(c1cccc2c(=O)cc[nH]c12)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is RGBBMLHMONTSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4/c23-22(24,25)31-16-4-1-3-15(13-16)30-14-8-11-27(12-9-14)21(29)18-6-2-5-17-19(28)7-10-26-20(17)18/h1-7,10,13-14H,8-9,11-12H2,(H,26,28).
What are the key properties of 8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one?
8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 432.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 67169812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).