2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide

C23H26F3N3O4 — CID 70664464

IUPAC2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide
SMILESCC(NCC(N)=O)c1ccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C23H26F3N3O4/c1-15(28-14-21(27)30)16-5-7-17(8-6-16)22(31)29-11-9-18(10-12-29)32-19-3-2-4-20(13-19)33-23(24,25)26/h2-8,13,15,18,28H,9-12,14H2,1H3,(H2,27,30)
InChIKeyOLAHVKZPAKOFMO-UHFFFAOYSA-N
MW465.47 g/mol
LogP3.40
Rot. Bonds8

About 2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide

2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide (PubChem CID 70664464) has the molecular formula C23H26F3N3O4 and a molecular weight of 465.47 g/mol. Its IUPAC name is 2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide.

Molecular Properties

Compound Name2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide
PubChem CID70664464
Molecular FormulaC23H26F3N3O4
Molecular Weight465.47 g/mol
Exact Mass465.19
IUPAC Name2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide
SMILESCC(NCC(N)=O)c1ccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C23H26F3N3O4/c1-15(28-14-21(27)30)16-5-7-17(8-6-16)22(31)29-11-9-18(10-12-29)32-19-3-2-4-20(13-19)33-23(24,25)26/h2-8,13,15,18,28H,9-12,14H2,1H3,(H2,27,30)
InChIKeyOLAHVKZPAKOFMO-UHFFFAOYSA-N
XLogP3.40
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
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
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
CID 67170379
[1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67170002
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67169362
(5-methoxypyrazin-2-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67169671
4-[(1S)-1-[[4-[(3R)-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]oxane-4-carbonyl]amino]ethyl]benzoic acid;hydrochloride
CID 163364909
N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168967

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide?
The IUPAC name of 2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide (CID 70664464) is 2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide.
What is the SMILES notation for 2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide?
The canonical SMILES for 2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide is CC(NCC(N)=O)c1ccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide?
The InChIKey is OLAHVKZPAKOFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O4/c1-15(28-14-21(27)30)16-5-7-17(8-6-16)22(31)29-11-9-18(10-12-29)32-19-3-2-4-20(13-19)33-23(24,25)26/h2-8,13,15,18,28H,9-12,14H2,1H3,(H2,27,30).
What are the key properties of 2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide?
2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide has a molecular weight of 465.47 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide is sourced from PubChem (CID 70664464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).