2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide

C21H21F3N2O4 — CID 67169798

IUPAC2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H21F3N2O4/c22-21(23,24)14-4-3-5-16(12-14)30-15-8-10-26(11-9-15)20(28)17-6-1-2-7-18(17)29-13-19(25)27/h1-7,12,15H,8-11,13H2,(H2,25,27)
InChIKeyOTZNQGWZDMEZMZ-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.25
Rot. Bonds6

About 2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide

2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide (PubChem CID 67169798) has the molecular formula C21H21F3N2O4 and a molecular weight of 422.40 g/mol. Its IUPAC name is 2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide
PubChem CID67169798
Molecular FormulaC21H21F3N2O4
Molecular Weight422.40 g/mol
Exact Mass422.15
IUPAC Name2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H21F3N2O4/c22-21(23,24)14-4-3-5-16(12-14)30-15-8-10-26(11-9-15)20(28)17-6-1-2-7-18(17)29-13-19(25)27/h1-7,12,15H,8-11,13H2,(H2,25,27)
InChIKeyOTZNQGWZDMEZMZ-UHFFFAOYSA-N
XLogP3.25
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 89332293
5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70750184
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 131948055
2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
CID 119625161
4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67170684
2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
CID 67170379
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide (CID 67169798) is 2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide is NC(=O)COc1ccccc1C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is OTZNQGWZDMEZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O4/c22-21(23,24)14-4-3-5-16(12-14)30-15-8-10-26(11-9-15)20(28)17-6-1-2-7-18(17)29-13-19(25)27/h1-7,12,15H,8-11,13H2,(H2,25,27).
What are the key properties of 2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide?
2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 422.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 67169798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).