[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate

C17H22N2O4 — CID 55526251

IUPAC[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate
SMILESCC(=O)N1CCN(C(=O)C(C)OC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H22N2O4/c1-13(23-16(21)12-15-6-4-3-5-7-15)17(22)19-10-8-18(9-11-19)14(2)20/h3-7,13H,8-12H2,1-2H3
InChIKeyFHNAWKUCXRNIJP-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.85
Rot. Bonds4

About [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate

[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate (PubChem CID 55526251) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate.

Molecular Properties

Compound Name[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate
PubChem CID55526251
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate
SMILESCC(=O)N1CCN(C(=O)C(C)OC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H22N2O4/c1-13(23-16(21)12-15-6-4-3-5-7-15)17(22)19-10-8-18(9-11-19)14(2)20/h3-7,13H,8-12H2,1-2H3
InChIKeyFHNAWKUCXRNIJP-UHFFFAOYSA-N
XLogP0.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate with MolForge

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Related Compounds

[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 55525865
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate
CID 55355067
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-phenylacetate
CID 7874744
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 4833570
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 16569616
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 55425172
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
CID 55417641
[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8741057
1-bromoethyl 2-phenylacetate
CID 22386448
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 26201709

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate?
The IUPAC name of [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate (CID 55526251) is [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate.
What is the SMILES notation for [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate?
The canonical SMILES for [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate is CC(=O)N1CCN(C(=O)C(C)OC(=O)Cc2ccccc2)CC1.
What is the InChIKey of [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate?
The InChIKey is FHNAWKUCXRNIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-13(23-16(21)12-15-6-4-3-5-7-15)17(22)19-10-8-18(9-11-19)14(2)20/h3-7,13H,8-12H2,1-2H3.
What are the key properties of [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate?
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate has a molecular weight of 318.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate is sourced from PubChem (CID 55526251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).