[4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone

C24H28F3N3O3 — CID 59647949

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCNC2)CC1
InChIInChI=1S/C24H28F3N3O3/c1-32-21-6-3-2-5-20(21)29-13-15-30(16-14-29)22(31)23(11-4-12-28-17-23)33-19-9-7-18(8-10-19)24(25,26)27/h2-3,5-10,28H,4,11-17H2,1H3
InChIKeyVEGYYDQUCHUYDF-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.56
Rot. Bonds5

About [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone (PubChem CID 59647949) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone
PubChem CID59647949
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCNC2)CC1
InChIInChI=1S/C24H28F3N3O3/c1-32-21-6-3-2-5-20(21)29-13-15-30(16-14-29)22(31)23(11-4-12-28-17-23)33-19-9-7-18(8-10-19)24(25,26)27/h2-3,5-10,28H,4,11-17H2,1H3
InChIKeyVEGYYDQUCHUYDF-UHFFFAOYSA-N
XLogP3.56
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone
CID 59648198
[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 59648057
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119826585
[(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 59648158
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108530744
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone
CID 97454697
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 29260743
methyl 3-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]propanoate
CID 59648069
(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone
CID 168907554
tert-butyl 4-(2-methoxyphenyl)-1,4-diazepane-1-carboxylate;1-(2-methoxyphenyl)-1,4-diazepane
CID 161383472
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 2597909
2-(4-methoxyphenyl)-1-[3-(4-methylpiperazine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 24823972

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone (CID 59647949) is [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone is COc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCNC2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone?
The InChIKey is VEGYYDQUCHUYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c1-32-21-6-3-2-5-20(21)29-13-15-30(16-14-29)22(31)23(11-4-12-28-17-23)33-19-9-7-18(8-10-19)24(25,26)27/h2-3,5-10,28H,4,11-17H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone has a molecular weight of 463.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone is sourced from PubChem (CID 59647949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).