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

C23H26F3N3O4 — CID 67170379

IUPAC2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
SMILESCN(CC(N)=O)Cc1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C23H26F3N3O4/c1-28(15-21(27)30)14-16-5-2-3-8-20(16)22(31)29-11-9-17(10-12-29)32-18-6-4-7-19(13-18)33-23(24,25)26/h2-8,13,17H,9-12,14-15H2,1H3,(H2,27,30)
InChIKeyCYEWRYJTFIWTTA-UHFFFAOYSA-N
MW465.47 g/mol
LogP3.19
Rot. Bonds8

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

2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide (PubChem CID 67170379) has the molecular formula C23H26F3N3O4 and a molecular weight of 465.47 g/mol. Its IUPAC name is 2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
PubChem CID67170379
Molecular FormulaC23H26F3N3O4
Molecular Weight465.47 g/mol
Exact Mass465.19
IUPAC Name2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
SMILESCN(CC(N)=O)Cc1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C23H26F3N3O4/c1-28(15-21(27)30)14-16-5-2-3-8-20(16)22(31)29-11-9-17(10-12-29)32-18-6-4-7-19(13-18)33-23(24,25)26/h2-8,13,17H,9-12,14-15H2,1H3,(H2,27,30)
InChIKeyCYEWRYJTFIWTTA-UHFFFAOYSA-N
XLogP3.19
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168967
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
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
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide
CID 70664464
8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one
CID 67169812
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168848
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 53235099
(5-methoxypyrazin-2-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67169671
2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide
CID 67169798
N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67167696

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide?
The IUPAC name of 2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide (CID 67170379) is 2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide is CN(CC(N)=O)Cc1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide?
The InChIKey is CYEWRYJTFIWTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O4/c1-28(15-21(27)30)14-16-5-2-3-8-20(16)22(31)29-11-9-17(10-12-29)32-18-6-4-7-19(13-18)33-23(24,25)26/h2-8,13,17H,9-12,14-15H2,1H3,(H2,27,30).
What are the key properties of 2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide?
2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide has a molecular weight of 465.47 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide is sourced from PubChem (CID 67170379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).