4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one

C19H17F3N2O2 — CID 21292130

IUPAC4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one
SMILESO=C(CN1CCNC(=O)C1c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)15-8-6-13(7-9-15)16(25)12-24-11-10-23-18(26)17(24)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,23,26)
InChIKeyVDWUNTZCNJLTGE-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.06
Rot. Bonds4

About 4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one

4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one (PubChem CID 21292130) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one
PubChem CID21292130
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one
SMILESO=C(CN1CCNC(=O)C1c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)15-8-6-13(7-9-15)16(25)12-24-11-10-23-18(26)17(24)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,23,26)
InChIKeyVDWUNTZCNJLTGE-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 122137345
5-[[(2S)-3-oxo-2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]furan-2-carbonitrile
CID 97160362
CID 175394574
CID 175394574
4-[2-(benzenesulfonyl)ethyl]-3-phenylpiperazin-2-one
CID 122137342
(7S,11bR)-7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one
CID 70381023
(7S,11bR)-7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride
CID 70381022
(3S)-4-methyl-3-phenylpiperazin-2-one
CID 86327207
3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one
CID 146108844
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one
CID 167795573
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one
CID 70381027

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one?
The IUPAC name of 4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one (CID 21292130) is 4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one is O=C(CN1CCNC(=O)C1c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one?
The InChIKey is VDWUNTZCNJLTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-19(21,22)15-8-6-13(7-9-15)16(25)12-24-11-10-23-18(26)17(24)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,23,26).
What are the key properties of 4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one?
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one has a molecular weight of 362.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one is sourced from PubChem (CID 21292130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).