2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide

C25H28F3N3O3 — CID 173094894

IUPAC2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide
SMILESCCc1cc(CCC(=O)N2CCN(c3ccc(C(=O)C(F)(F)F)cc3)CC2)ccc1CC(N)=O
InChIInChI=1S/C25H28F3N3O3/c1-2-18-15-17(3-5-20(18)16-22(29)32)4-10-23(33)31-13-11-30(12-14-31)21-8-6-19(7-9-21)24(34)25(26,27)28/h3,5-9,15H,2,4,10-14,16H2,1H3,(H2,29,32)
InChIKeyUOMFXRBEEDPHED-UHFFFAOYSA-N
MW475.51 g/mol
LogP3.30
Rot. Bonds8

About 2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide

2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide (PubChem CID 173094894) has the molecular formula C25H28F3N3O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is 2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide
PubChem CID173094894
Molecular FormulaC25H28F3N3O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC Name2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide
SMILESCCc1cc(CCC(=O)N2CCN(c3ccc(C(=O)C(F)(F)F)cc3)CC2)ccc1CC(N)=O
InChIInChI=1S/C25H28F3N3O3/c1-2-18-15-17(3-5-20(18)16-22(29)32)4-10-23(33)31-13-11-30(12-14-31)21-8-6-19(7-9-21)24(34)25(26,27)28/h3,5-9,15H,2,4,10-14,16H2,1H3,(H2,29,32)
InChIKeyUOMFXRBEEDPHED-UHFFFAOYSA-N
XLogP3.30
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
3-(4-acetylphenyl)-1-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propan-1-one
CID 147622228
1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one
CID 24537911
4-[1-[3-(3,4-diethylphenyl)propanoyl]piperidin-4-yl]piperazine-1-carboxamide
CID 173094944
4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]piperazin-1-yl]benzoic acid
CID 13135962
3-(3,4-dimethoxyphenyl)-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one
CID 113075310
4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide
CID 173095090
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
3-(1,3-benzodioxol-5-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
CID 41388418
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
1-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 78774986
[4-(4-ethylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113075921

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide?
The IUPAC name of 2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide (CID 173094894) is 2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide?
The canonical SMILES for 2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide is CCc1cc(CCC(=O)N2CCN(c3ccc(C(=O)C(F)(F)F)cc3)CC2)ccc1CC(N)=O.
What is the InChIKey of 2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide?
The InChIKey is UOMFXRBEEDPHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O3/c1-2-18-15-17(3-5-20(18)16-22(29)32)4-10-23(33)31-13-11-30(12-14-31)21-8-6-19(7-9-21)24(34)25(26,27)28/h3,5-9,15H,2,4,10-14,16H2,1H3,(H2,29,32).
What are the key properties of 2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide?
2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide has a molecular weight of 475.51 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide is sourced from PubChem (CID 173094894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).