3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide

C21H20F3N3O4 — CID 25165128

IUPAC3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccc(O)c1
InChIInChI=1S/C21H20F3N3O4/c22-21(23,24)17-7-2-1-6-16(17)20(31)27-10-8-26(9-11-27)18(29)13-25-19(30)14-4-3-5-15(28)12-14/h1-7,12,28H,8-11,13H2,(H,25,30)
InChIKeyCRSLRPSQPZUNGL-UHFFFAOYSA-N
MW435.40 g/mol
LogP2.13
Rot. Bonds4

About 3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide

3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 25165128) has the molecular formula C21H20F3N3O4 and a molecular weight of 435.40 g/mol. Its IUPAC name is 3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
PubChem CID25165128
Molecular FormulaC21H20F3N3O4
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC Name3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccc(O)c1
InChIInChI=1S/C21H20F3N3O4/c22-21(23,24)17-7-2-1-6-16(17)20(31)27-10-8-26(9-11-27)18(29)13-25-19(30)14-4-3-5-15(28)12-14/h1-7,12,28H,8-11,13H2,(H,25,30)
InChIKeyCRSLRPSQPZUNGL-UHFFFAOYSA-N
XLogP2.13
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]acetamide
CID 154499668
4-(3-nitrophenyl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 59559663
4-(2,5-difluorophenyl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 25166706
6-anilino-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 59559675
4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 59559602
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 25167327
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-phenylpyridine-2-carboxamide
CID 25164925
5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 25164721
2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;hydrochloride
CID 66953178
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
3-fluoro-N-[2-oxo-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]ethyl]benzamide
CID 24547580
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide (CID 25165128) is 3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is CRSLRPSQPZUNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4/c22-21(23,24)17-7-2-1-6-16(17)20(31)27-10-8-26(9-11-27)18(29)13-25-19(30)14-4-3-5-15(28)12-14/h1-7,12,28H,8-11,13H2,(H,25,30).
What are the key properties of 3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide?
3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 435.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 25165128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).