N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C25H24F4N4O2 — CID 53384116

IUPACN-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(F)cc2)N2CCN(c3cccc(C(F)(F)F)n3)CC2)cc1
InChIInChI=1S/C25H24F4N4O2/c1-35-20-11-5-17(6-12-20)23(24(34)30-19-9-7-18(26)8-10-19)33-15-13-32(14-16-33)22-4-2-3-21(31-22)25(27,28)29/h2-12,23H,13-16H2,1H3,(H,30,34)
InChIKeySQWTUFXZZVWSCO-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.75
Rot. Bonds6

About N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 53384116) has the molecular formula C25H24F4N4O2 and a molecular weight of 488.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID53384116
Molecular FormulaC25H24F4N4O2
Molecular Weight488.49 g/mol
Exact Mass488.18
IUPAC NameN-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(F)cc2)N2CCN(c3cccc(C(F)(F)F)n3)CC2)cc1
InChIInChI=1S/C25H24F4N4O2/c1-35-20-11-5-17(6-12-20)23(24(34)30-19-9-7-18(26)8-10-19)33-15-13-32(14-16-33)22-4-2-3-21(31-22)25(27,28)29/h2-12,23H,13-16H2,1H3,(H,30,34)
InChIKeySQWTUFXZZVWSCO-UHFFFAOYSA-N
XLogP4.75
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 53384116) is N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is COc1ccc(C(C(=O)Nc2ccc(F)cc2)N2CCN(c3cccc(C(F)(F)F)n3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is SQWTUFXZZVWSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N4O2/c1-35-20-11-5-17(6-12-20)23(24(34)30-19-9-7-18(26)8-10-19)33-15-13-32(14-16-33)22-4-2-3-21(31-22)25(27,28)29/h2-12,23H,13-16H2,1H3,(H,30,34).
What are the key properties of N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 488.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 53384116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).