2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C20H20F3N3O4 — CID 43017485

IUPAC2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2O)CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O4/c21-20(22,23)30-15-7-5-14(6-8-15)24-18(28)13-25-9-11-26(12-10-25)19(29)16-3-1-2-4-17(16)27/h1-8,27H,9-13H2,(H,24,28)
InChIKeyKGYXYPRJZHRIKF-UHFFFAOYSA-N
MW423.39 g/mol
LogP2.69
Rot. Bonds5

About 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 43017485) has the molecular formula C20H20F3N3O4 and a molecular weight of 423.39 g/mol. Its IUPAC name is 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID43017485
Molecular FormulaC20H20F3N3O4
Molecular Weight423.39 g/mol
Exact Mass423.14
IUPAC Name2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2O)CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O4/c21-20(22,23)30-15-7-5-14(6-8-15)24-18(28)13-25-9-11-26(12-10-25)19(29)16-3-1-2-4-17(16)27/h1-8,27H,9-13H2,(H,24,28)
InChIKeyKGYXYPRJZHRIKF-UHFFFAOYSA-N
XLogP2.69
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
2-[4-(4-methylbenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020888
2-[4-(3-methyl-2-nitrobenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 27852359
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 55364252
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
2-[4-(quinoline-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 27852434
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51578372
2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 25496752
2-[4-(4-aminobutanoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119833580
2-[4-[(1S,2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020912
2-[4-[2-(3-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164778
2-[4-(2-methoxy-5-nitrobenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 46654951

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 43017485) is 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CN1CCN(C(=O)c2ccccc2O)CC1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is KGYXYPRJZHRIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O4/c21-20(22,23)30-15-7-5-14(6-8-15)24-18(28)13-25-9-11-26(12-10-25)19(29)16-3-1-2-4-17(16)27/h1-8,27H,9-13H2,(H,24,28).
What are the key properties of 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 423.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 43017485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).