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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Related Compounds

(2R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3,4-difluorophenyl)propan-1-one
CID 125146963
1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one
CID 136536080
2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561844
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
(2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 95242620
(2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 95242619
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46513080
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
1-(3-fluorophenyl)-4-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]piperazin-2-one
CID 146093531
4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70783427
1-(3-fluorophenyl)piperidine-2,4-dione
CID 79515239
1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one
CID 167896393

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).