[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C20H21F3N2O3 — CID 78324936

IUPAC[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3C(F)(F)F)C2)c1
InChIInChI=1S/C20H21F3N2O3/c1-13-7-8-15(28-18-11-14(27-2)9-10-24-18)12-25(13)19(26)16-5-3-4-6-17(16)20(21,22)23/h3-6,9-11,13,15H,7-8,12H2,1-2H3/t13-,15-/m1/s1
InChIKeyODQYMONASKUWRZ-UKRRQHHQSA-N
MW394.39 g/mol
LogP4.18
Rot. Bonds4

About [(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 78324936) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is [(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID78324936
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3C(F)(F)F)C2)c1
InChIInChI=1S/C20H21F3N2O3/c1-13-7-8-15(28-18-11-14(27-2)9-10-24-18)12-25(13)19(26)16-5-3-4-6-17(16)20(21,22)23/h3-6,9-11,13,15H,7-8,12H2,1-2H3/t13-,15-/m1/s1
InChIKeyODQYMONASKUWRZ-UKRRQHHQSA-N
XLogP4.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

US9546152, example 62
CID 74221626
US9546152, example 16
CID 74222326
US9546152, example 19
CID 74222402
US9546152, example 17
CID 74222327
US9546152, example 23
CID 74222406
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-phenylphenyl)methanone
CID 25125516
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(4-methoxy-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132256750
Anabasine, derivative of
CID 2902985
4-[1-(4-Ethoxybenzoyl)piperidin-4-yl]pyridine
CID 16033080
4-{[1-(2-methoxy-1-methylethyl)-4-piperidinyl]oxy}-N-(2-pyridinylmethyl)benzamide
CID 24817524
2-{[4-(4-{[2-(Methoxymethyl)-1-piperidinyl]carbonyl}phenoxy)-1-piperidinyl]methyl}pyridine
CID 24819503
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-isoquinolin-8-yloxypropan-1-one
CID 45487321

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 78324936) is [(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is COc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3C(F)(F)F)C2)c1.
What is the InChIKey of [(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is ODQYMONASKUWRZ-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-13-7-8-15(28-18-11-14(27-2)9-10-24-18)12-25(13)19(26)16-5-3-4-6-17(16)20(21,22)23/h3-6,9-11,13,15H,7-8,12H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of [(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 394.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 78324936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).