[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate

C21H24N2O4 — CID 2931753

IUPAC[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
SMILESCOc1ccc(N2CCN(C(=O)C(OC(C)=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-16(24)27-20(17-6-4-3-5-7-17)21(25)23-14-12-22(13-15-23)18-8-10-19(26-2)11-9-18/h3-11,20H,12-15H2,1-2H3
InChIKeyURQGUVRHWAIMNU-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.65
Rot. Bonds5

About [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate

[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate (PubChem CID 2931753) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
PubChem CID2931753
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
SMILESCOc1ccc(N2CCN(C(=O)C(OC(C)=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-16(24)27-20(17-6-4-3-5-7-17)21(25)23-14-12-22(13-15-23)18-8-10-19(26-2)11-9-18/h3-11,20H,12-15H2,1-2H3
InChIKeyURQGUVRHWAIMNU-UHFFFAOYSA-N
XLogP2.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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Arylaminoethyl carbamate, 12
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Arylaminoethyl carbamate, 13
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Arylaminoethyl carbamate, 14
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1-[4-(4-Methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 937377
[(4R,5S)-3-(4-methoxyphenyl)-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 44413436

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate (CID 2931753) is [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate is COc1ccc(N2CCN(C(=O)C(OC(C)=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate?
The InChIKey is URQGUVRHWAIMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16(24)27-20(17-6-4-3-5-7-17)21(25)23-14-12-22(13-15-23)18-8-10-19(26-2)11-9-18/h3-11,20H,12-15H2,1-2H3.
What are the key properties of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate?
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate has a molecular weight of 368.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 2931753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).