4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one

C19H17F3N2O2 — CID 166215217

IUPAC4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one
SMILESCC(C(=O)N1CCN(c2cccc(F)c2)C(=O)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F3N2O2/c1-12(13-5-6-16(21)17(22)9-13)19(26)23-7-8-24(18(25)11-23)15-4-2-3-14(20)10-15/h2-6,9-10,12H,7-8,11H2,1H3
InChIKeyNUPUCSRVPCDEPH-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.08
Rot. Bonds3

About 4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one

4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one (PubChem CID 166215217) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one
PubChem CID166215217
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one
SMILESCC(C(=O)N1CCN(c2cccc(F)c2)C(=O)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F3N2O2/c1-12(13-5-6-16(21)17(22)9-13)19(26)23-7-8-24(18(25)11-23)15-4-2-3-14(20)10-15/h2-6,9-10,12H,7-8,11H2,1H3
InChIKeyNUPUCSRVPCDEPH-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one (CID 166215217) is 4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one is CC(C(=O)N1CCN(c2cccc(F)c2)C(=O)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one?
The InChIKey is NUPUCSRVPCDEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-12(13-5-6-16(21)17(22)9-13)19(26)23-7-8-24(18(25)11-23)15-4-2-3-14(20)10-15/h2-6,9-10,12H,7-8,11H2,1H3.
What are the key properties of 4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one?
4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one has a molecular weight of 362.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 166215217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).