4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide

C21H21F3N2O4 — CID 67170684

IUPAC4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(Oc3cccc(OCC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C21H21F3N2O4/c22-21(23,24)13-29-17-2-1-3-18(12-17)30-16-8-10-26(11-9-16)20(28)15-6-4-14(5-7-15)19(25)27/h1-7,12,16H,8-11,13H2,(H2,25,27)
InChIKeyUDVGDWOJKSBCNP-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.41
Rot. Bonds6

About 4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide

4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide (PubChem CID 67170684) has the molecular formula C21H21F3N2O4 and a molecular weight of 422.40 g/mol. Its IUPAC name is 4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide
PubChem CID67170684
Molecular FormulaC21H21F3N2O4
Molecular Weight422.40 g/mol
Exact Mass422.15
IUPAC Name4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(Oc3cccc(OCC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C21H21F3N2O4/c22-21(23,24)13-29-17-2-1-3-18(12-17)30-16-8-10-26(11-9-16)20(28)15-6-4-14(5-7-15)19(25)27/h1-7,12,16H,8-11,13H2,(H2,25,27)
InChIKeyUDVGDWOJKSBCNP-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67167696
2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide
CID 70664464
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168848
4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine
CID 67168614
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70750184
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 67169308
2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide
CID 67169798
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide?
The IUPAC name of 4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide (CID 67170684) is 4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide.
What is the SMILES notation for 4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide?
The canonical SMILES for 4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide is NC(=O)c1ccc(C(=O)N2CCC(Oc3cccc(OCC(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide?
The InChIKey is UDVGDWOJKSBCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O4/c22-21(23,24)13-29-17-2-1-3-18(12-17)30-16-8-10-26(11-9-16)20(28)15-6-4-14(5-7-15)19(25)27/h1-7,12,16H,8-11,13H2,(H2,25,27).
What are the key properties of 4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide?
4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide has a molecular weight of 422.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 67170684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).