1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one

C22H25FN2O3 — CID 110088248

IUPAC1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one
SMILESCCN1CCN(C(=O)COC)C(Cc2ccccc2-c2ccc(F)cc2)C1=O
InChIInChI=1S/C22H25FN2O3/c1-3-24-12-13-25(21(26)15-28-2)20(22(24)27)14-17-6-4-5-7-19(17)16-8-10-18(23)11-9-16/h4-11,20H,3,12-15H2,1-2H3
InChIKeyCBXCNPFSAPBBOY-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.74
Rot. Bonds6

About 1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one

1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one (PubChem CID 110088248) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one
PubChem CID110088248
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one
SMILESCCN1CCN(C(=O)COC)C(Cc2ccccc2-c2ccc(F)cc2)C1=O
InChIInChI=1S/C22H25FN2O3/c1-3-24-12-13-25(21(26)15-28-2)20(22(24)27)14-17-6-4-5-7-19(17)16-8-10-18(23)11-9-16/h4-11,20H,3,12-15H2,1-2H3
InChIKeyCBXCNPFSAPBBOY-UHFFFAOYSA-N
XLogP2.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
CID 129453365
(3S)-1-ethyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
CID 95811893
(3S)-1-ethyl-4-(2-methoxyacetyl)-3-[[4-(3-methoxyphenyl)phenyl]methyl]piperazin-2-one
CID 95811759
N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
CID 110250454
(3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-propylpiperazin-2-one
CID 129458255
(3S)-4-(cyclohexanecarbonyl)-1-ethyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 95811633
(3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 95811931
(3S)-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxypyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 125026438
(6S)-6-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-4-prop-2-enyl-1,4-diazepan-5-one
CID 92610796
(3R)-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]piperazin-2-one
CID 125011408
(3S)-4-(2-methoxybenzoyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 95811813
1-(2-aminoacetyl)-4-ethyl-6-[[2-(4-methylphenyl)phenyl]methyl]-1,4-diazepan-5-one
CID 110123369

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one?
The IUPAC name of 1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one (CID 110088248) is 1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one.
What is the SMILES notation for 1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one?
The canonical SMILES for 1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one is CCN1CCN(C(=O)COC)C(Cc2ccccc2-c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one?
The InChIKey is CBXCNPFSAPBBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-3-24-12-13-25(21(26)15-28-2)20(22(24)27)14-17-6-4-5-7-19(17)16-8-10-18(23)11-9-16/h4-11,20H,3,12-15H2,1-2H3.
What are the key properties of 1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one?
1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one has a molecular weight of 384.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one is sourced from PubChem (CID 110088248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).