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

C27H22F3N3O — CID 129453468

IUPACquinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2ncccc2c1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C27H22F3N3O/c28-27(29,30)22-8-1-5-19(16-22)24-9-2-10-25(32-24)21-7-4-14-33(17-21)26(34)20-11-12-23-18(15-20)6-3-13-31-23/h1-3,5-6,8-13,15-16,21H,4,7,14,17H2/t21-/m1/s1
InChIKeyARPINNHMWWXOLB-OAQYLSRUSA-N
MW461.49 g/mol
LogP6.34
Rot. Bonds3

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

quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 129453468) has the molecular formula C27H22F3N3O and a molecular weight of 461.49 g/mol. Its IUPAC name is quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namequinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID129453468
Molecular FormulaC27H22F3N3O
Molecular Weight461.49 g/mol
Exact Mass461.17
IUPAC Namequinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2ncccc2c1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C27H22F3N3O/c28-27(29,30)22-8-1-5-19(16-22)24-9-2-10-25(32-24)21-7-4-14-33(17-21)26(34)20-11-12-23-18(15-20)6-3-13-31-23/h1-3,5-6,8-13,15-16,21H,4,7,14,17H2/t21-/m1/s1
InChIKeyARPINNHMWWXOLB-OAQYLSRUSA-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-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124966949
quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129456481
(3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 132773829
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
(1-methylimidazol-2-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810581
(2-methyl-1-phenylbenzimidazol-5-yl)-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129454471
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
ethyl 1-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]piperidine-3-carboxylate
CID 58874811
[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 125017299
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110089801

Frequently Asked Questions

What is the IUPAC name of quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 129453468) is quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone is O=C(c1ccc2ncccc2c1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1.
What is the InChIKey of quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is ARPINNHMWWXOLB-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H22F3N3O/c28-27(29,30)22-8-1-5-19(16-22)24-9-2-10-25(32-24)21-7-4-14-33(17-21)26(34)20-11-12-23-18(15-20)6-3-13-31-23/h1-3,5-6,8-13,15-16,21H,4,7,14,17H2/t21-/m1/s1.
What are the key properties of quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?
quinolin-6-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-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 129453468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).