[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone

C25H29F3N2O3 — CID 70946485

IUPAC[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone
SMILESCOc1cccc(CN2CCC(C(=O)N3CCC(Oc4c(F)cc(F)cc4F)CC3)CC2)c1
InChIInChI=1S/C25H29F3N2O3/c1-32-21-4-2-3-17(13-21)16-29-9-5-18(6-10-29)25(31)30-11-7-20(8-12-30)33-24-22(27)14-19(26)15-23(24)28/h2-4,13-15,18,20H,5-12,16H2,1H3
InChIKeyLWILAZXJZRMJTO-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.39
Rot. Bonds6

About [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone

[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone (PubChem CID 70946485) has the molecular formula C25H29F3N2O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone
PubChem CID70946485
Molecular FormulaC25H29F3N2O3
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone
SMILESCOc1cccc(CN2CCC(C(=O)N3CCC(Oc4c(F)cc(F)cc4F)CC3)CC2)c1
InChIInChI=1S/C25H29F3N2O3/c1-32-21-4-2-3-17(13-21)16-29-9-5-18(6-10-29)25(31)30-11-7-20(8-12-30)33-24-22(27)14-19(26)15-23(24)28/h2-4,13-15,18,20H,5-12,16H2,1H3
InChIKeyLWILAZXJZRMJTO-UHFFFAOYSA-N
XLogP4.39
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone
CID 143495989
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165435270
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 171151325
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920566
N-(2,4-difluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43923139
[(3S)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558693
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
[1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone
CID 143382707
[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 43922406
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903661

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone (CID 70946485) is [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone is COc1cccc(CN2CCC(C(=O)N3CCC(Oc4c(F)cc(F)cc4F)CC3)CC2)c1.
What is the InChIKey of [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is LWILAZXJZRMJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O3/c1-32-21-4-2-3-17(13-21)16-29-9-5-18(6-10-29)25(31)30-11-7-20(8-12-30)33-24-22(27)14-19(26)15-23(24)28/h2-4,13-15,18,20H,5-12,16H2,1H3.
What are the key properties of [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone?
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 462.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70946485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).