2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone

C26H23F3N2O3 — CID 147308217

IUPAC2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H23F3N2O3/c27-26(28,29)21-7-2-5-19(16-21)24(32)15-18-4-1-8-23(14-18)34-22-9-12-31(13-10-22)25(33)20-6-3-11-30-17-20/h1-8,11,14,16-17,22H,9-10,12-13,15H2
InChIKeyCXKUYEDNZJVWKC-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.21
Rot. Bonds6

About 2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone

2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 147308217) has the molecular formula C26H23F3N2O3 and a molecular weight of 468.48 g/mol. Its IUPAC name is 2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID147308217
Molecular FormulaC26H23F3N2O3
Molecular Weight468.48 g/mol
Exact Mass468.17
IUPAC Name2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H23F3N2O3/c27-26(28,29)21-7-2-5-19(16-21)24(32)15-18-4-1-8-23(14-18)34-22-9-12-31(13-10-22)25(33)20-6-3-11-30-17-20/h1-8,11,14,16-17,22H,9-10,12-13,15H2
InChIKeyCXKUYEDNZJVWKC-UHFFFAOYSA-N
XLogP5.21
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
Cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone
CID 162643335
(4-Fluorophenyl)-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone
CID 162646656
5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10223831
2-[2-(4-phenylpiperidin-1-yl)ethyl]-6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 18794679
5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060382
6-(2-Benzyl-1,2,3,4-tetrahydroisoquinolin-6-yloxy)nicotinamide
CID 44434062
6-(2-Phenethyl-1,2,3,4-tetrahydroisoquinolin-6-yloxy)nicotinamide
CID 44434063
6-(2-(3-Phenylpropyl)-1,2,3,4-tetrahydroisoquinolin-6-yloxy)nicotinamide
CID 44434064

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (CID 147308217) is 2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is CXKUYEDNZJVWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O3/c27-26(28,29)21-7-2-5-19(16-21)24(32)15-18-4-1-8-23(14-18)34-22-9-12-31(13-10-22)25(33)20-6-3-11-30-17-20/h1-8,11,14,16-17,22H,9-10,12-13,15H2.
What are the key properties of 2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 468.48 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 147308217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).