1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one

C20H21FN2O2 — CID 24716469

IUPAC1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccc(F)cc2)CCN1C(=O)CCc1ccccc1
InChIInChI=1S/C20H21FN2O2/c1-15-20(25)23(18-10-8-17(21)9-11-18)14-13-22(15)19(24)12-7-16-5-3-2-4-6-16/h2-6,8-11,15H,7,12-14H2,1H3
InChIKeyJOQIXUMKNQYZRS-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one

1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one (PubChem CID 24716469) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
PubChem CID24716469
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccc(F)cc2)CCN1C(=O)CCc1ccccc1
InChIInChI=1S/C20H21FN2O2/c1-15-20(25)23(18-10-8-17(21)9-11-18)14-13-22(15)19(24)12-7-16-5-3-2-4-6-16/h2-6,8-11,15H,7,12-14H2,1H3
InChIKeyJOQIXUMKNQYZRS-UHFFFAOYSA-N
XLogP3.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 93290787
3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036176
(3S)-3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)piperazin-2-one
CID 93321618
1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036282
(3S)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 93322248
1-(2-fluoro-5-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036097
1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036234
1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one
CID 46036035
(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93321778
1-(3-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one
CID 46036227
1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one
CID 45168454
(3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93292545

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one (CID 24716469) is 1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one is CC1C(=O)N(c2ccc(F)cc2)CCN1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one?
The InChIKey is JOQIXUMKNQYZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-15-20(25)23(18-10-8-17(21)9-11-18)14-13-22(15)19(24)12-7-16-5-3-2-4-6-16/h2-6,8-11,15H,7,12-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one?
1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one has a molecular weight of 340.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one is sourced from PubChem (CID 24716469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).