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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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).