[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate

C21H24N2O4 — CID 8910389

IUPAC[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H24N2O4/c1-17-6-5-9-19(14-17)26-16-21(25)27-15-20(24)23-12-10-22(11-13-23)18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3
InChIKeyIBNKFRMVPOICJT-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.27
Rot. Bonds6

About [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate (PubChem CID 8910389) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate
PubChem CID8910389
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H24N2O4/c1-17-6-5-9-19(14-17)26-16-21(25)27-15-20(24)23-12-10-22(11-13-23)18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3
InChIKeyIBNKFRMVPOICJT-UHFFFAOYSA-N
XLogP2.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
[4-(4-acetylpiperazin-1-yl)phenyl] 2-(3-methylphenoxy)acetate
CID 8867991
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate
CID 42004675
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41162791
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 5224731
4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoic acid
CID 2050307
2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120422
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050329
2-[[5-[(3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 21378742

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate (CID 8910389) is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate?
The InChIKey is IBNKFRMVPOICJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-17-6-5-9-19(14-17)26-16-21(25)27-15-20(24)23-12-10-22(11-13-23)18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate?
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate has a molecular weight of 368.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 8910389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).