quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone

C27H22F3N3O — CID 129456481

IUPACquinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C27H22F3N3O/c28-27(29,30)21-9-3-7-19(16-21)23-11-4-12-24(31-23)20-8-5-15-33(17-20)26(34)25-14-13-18-6-1-2-10-22(18)32-25/h1-4,6-7,9-14,16,20H,5,8,15,17H2/t20-/m1/s1
InChIKeyLZIAAQXMRFRRNQ-HXUWFJFHSA-N
MW461.49 g/mol
LogP6.34
Rot. Bonds3

About quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone

quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 129456481) has the molecular formula C27H22F3N3O and a molecular weight of 461.49 g/mol. Its IUPAC name is quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namequinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID129456481
Molecular FormulaC27H22F3N3O
Molecular Weight461.49 g/mol
Exact Mass461.17
IUPAC Namequinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C27H22F3N3O/c28-27(29,30)21-9-3-7-19(16-21)23-11-4-12-24(31-23)20-8-5-15-33(17-20)26(34)25-14-13-18-6-1-2-10-22(18)32-25/h1-4,6-7,9-14,16,20H,5,8,15,17H2/t20-/m1/s1
InChIKeyLZIAAQXMRFRRNQ-HXUWFJFHSA-N
XLogP6.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.49
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 110089800
quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129453468
1H-pyrazol-5-yl-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810136
(1-methylimidazol-2-yl)-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810580
[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124966949
(1-methylimidazol-2-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810581
quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 95811068
(3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 132773829
(2-methyl-1-phenylbenzimidazol-5-yl)-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129454471
(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 127246090
[(3R)-3-pyrazin-2-ylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 124964601
quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069125

Frequently Asked Questions

What is the IUPAC name of quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 129456481) is quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone is O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1.
What is the InChIKey of quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is LZIAAQXMRFRRNQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H22F3N3O/c28-27(29,30)21-9-3-7-19(16-21)23-11-4-12-24(31-23)20-8-5-15-33(17-20)26(34)25-14-13-18-6-1-2-10-22(18)32-25/h1-4,6-7,9-14,16,20H,5,8,15,17H2/t20-/m1/s1.
What are the key properties of quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?
quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 461.49 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 129456481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).