[1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone

C25H22ClF3N2O2 — CID 171984960

IUPAC[1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Oc3ccc(Cl)cn3)cc2)CC1
InChIInChI=1S/C25H22ClF3N2O2/c26-21-7-10-23(30-15-21)33-22-8-1-17(2-9-22)16-31-13-11-19(12-14-31)24(32)18-3-5-20(6-4-18)25(27,28)29/h1-10,15,19H,11-14,16H2
InChIKeyPRLDLMMJJDHOLF-UHFFFAOYSA-N
MW474.91 g/mol
LogP6.64
Rot. Bonds6

About [1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone

[1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 171984960) has the molecular formula C25H22ClF3N2O2 and a molecular weight of 474.91 g/mol. Its IUPAC name is [1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID171984960
Molecular FormulaC25H22ClF3N2O2
Molecular Weight474.91 g/mol
Exact Mass474.13
IUPAC Name[1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Oc3ccc(Cl)cn3)cc2)CC1
InChIInChI=1S/C25H22ClF3N2O2/c26-21-7-10-23(30-15-21)33-22-8-1-17(2-9-22)16-31-13-11-19(12-14-31)24(32)18-3-5-20(6-4-18)25(27,28)29/h1-10,15,19H,11-14,16H2
InChIKeyPRLDLMMJJDHOLF-UHFFFAOYSA-N
XLogP6.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.91
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 123409843
(4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone
CID 86827290
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
(5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone
CID 134106072
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
[1-[(4-pyrazin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
CID 171984961
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093441
(3S)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124610315
pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 78824899
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46643597
(4-aminophenyl)-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]piperidin-4-yl]methanone
CID 86670979
[[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methyl] N-(4-chlorophenyl)carbamate
CID 11671587

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 171984960) is [1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Oc3ccc(Cl)cn3)cc2)CC1.
What is the InChIKey of [1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is PRLDLMMJJDHOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF3N2O2/c26-21-7-10-23(30-15-21)33-22-8-1-17(2-9-22)16-31-13-11-19(12-14-31)24(32)18-3-5-20(6-4-18)25(27,28)29/h1-10,15,19H,11-14,16H2.
What are the key properties of [1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
[1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 474.91 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 171984960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).