4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide

C20H19F3N2O4 — CID 67169178

IUPAC4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)29-17-3-1-2-16(12-17)28-15-8-10-25(11-9-15)19(27)14-6-4-13(5-7-14)18(24)26/h1-7,12,15H,8-11H2,(H2,24,26)
InChIKeyHZTGTFOYYZYLQQ-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.37
Rot. Bonds5

About 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide

4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide (PubChem CID 67169178) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
PubChem CID67169178
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC Name4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)29-17-3-1-2-16(12-17)28-15-8-10-25(11-9-15)19(27)14-6-4-13(5-7-14)18(24)26/h1-7,12,15H,8-11H2,(H2,24,26)
InChIKeyHZTGTFOYYZYLQQ-UHFFFAOYSA-N
XLogP3.37
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 53235099
4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67170684
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168848
2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide
CID 70664464
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
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
[1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67170002
(5-methoxypyrazin-2-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67169671
2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
CID 67170379
N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168967
1,8-naphthyridin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67171137

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide?
The IUPAC name of 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide (CID 67169178) is 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide.
What is the SMILES notation for 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide?
The canonical SMILES for 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide is NC(=O)c1ccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide?
The InChIKey is HZTGTFOYYZYLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c21-20(22,23)29-17-3-1-2-16(12-17)28-15-8-10-25(11-9-15)19(27)14-6-4-13(5-7-14)18(24)26/h1-7,12,15H,8-11H2,(H2,24,26).
What are the key properties of 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide?
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide has a molecular weight of 408.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 67169178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).