[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate

C23H24F3N5O3 — CID 11784802

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
SMILESCn1cnc(CCN2CCN(C(=O)Oc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)c1
InChIInChI=1S/C23H24F3N5O3/c1-29-15-18(28-16-29)8-9-30-10-12-31(13-11-30)22(32)34-20-5-3-19(4-6-20)33-21-7-2-17(14-27-21)23(24,25)26/h2-7,14-16H,8-13H2,1H3
InChIKeyHCKVHITWFWAVGM-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.99
Rot. Bonds6

About [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate (PubChem CID 11784802) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
PubChem CID11784802
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
SMILESCn1cnc(CCN2CCN(C(=O)Oc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)c1
InChIInChI=1S/C23H24F3N5O3/c1-29-15-18(28-16-29)8-9-30-10-12-31(13-11-30)22(32)34-20-5-3-19(4-6-20)33-21-7-2-17(14-27-21)23(24,25)26/h2-7,14-16H,8-13H2,1H3
InChIKeyHCKVHITWFWAVGM-UHFFFAOYSA-N
XLogP3.99
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate with MolForge

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Related Compounds

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-butylpiperazine-1-carboxylate
CID 57455852
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-(2-pyridin-3-ylethyl)piperazine-1-carboxylate
CID 11225224
6-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid
CID 11364096
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate
CID 11385613
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-(hydroxymethyl)piperidine-1-carboxylate
CID 23636024
[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
CID 11750489
[5-[tert-butylcarbamoyl(sulfanyl)amino]-2-pyridinyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
CID 57464148
[4-[1H-imidazol-2-yl(sulfanyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
CID 87940573
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 78824899
[6-(5-oxo-4-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)-3-pyridinyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
CID 57456052
phenyl 4-(pyridin-2-ylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]piperazine-1-carboxylate
CID 161399341

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate (CID 11784802) is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate is Cn1cnc(CCN2CCN(C(=O)Oc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)c1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is HCKVHITWFWAVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-29-15-18(28-16-29)8-9-30-10-12-31(13-11-30)22(32)34-20-5-3-19(4-6-20)33-21-7-2-17(14-27-21)23(24,25)26/h2-7,14-16H,8-13H2,1H3.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate?
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 475.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 11784802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).