1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one

C21H24N2O3 — CID 46036035

IUPAC1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one
SMILESCCOc1ccc(N2CCN(C(=O)Cc3ccccc3)C(C)C2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-3-26-19-11-9-18(10-12-19)23-14-13-22(16(2)21(23)25)20(24)15-17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3
InChIKeyVGVSNZUKFJEKEG-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.89
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one

1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one (PubChem CID 46036035) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one
PubChem CID46036035
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one
SMILESCCOc1ccc(N2CCN(C(=O)Cc3ccccc3)C(C)C2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-3-26-19-11-9-18(10-12-19)23-14-13-22(16(2)21(23)25)20(24)15-17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3
InChIKeyVGVSNZUKFJEKEG-UHFFFAOYSA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one
CID 46036227
4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one
CID 110741176
(3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292435
1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 24716469
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077436
4-(3,3-dimethylbutanoyl)-1-(3-ethoxyphenyl)-3-methylpiperazin-2-one
CID 24716441
3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036176
(3R)-4-[2-(4-ethoxyphenyl)acetyl]-3-methyl-1,4-diazepan-2-one
CID 99791509
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 7255321
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
(3S)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 93322248
(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97133156

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one (CID 46036035) is 1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one is CCOc1ccc(N2CCN(C(=O)Cc3ccccc3)C(C)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one?
The InChIKey is VGVSNZUKFJEKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-26-19-11-9-18(10-12-19)23-14-13-22(16(2)21(23)25)20(24)15-17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one?
1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one has a molecular weight of 352.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one is sourced from PubChem (CID 46036035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).