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

C15H19N2O5- — CID 7317127

IUPAC2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate
SMILESCOc1ccccc1N1CCN(C(=O)COCC(=O)[O-])CC1
InChIInChI=1S/C15H20N2O5/c1-21-13-5-3-2-4-12(13)16-6-8-17(9-7-16)14(18)10-22-11-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)/p-1
InChIKeyQQGCLJILXPRUFJ-UHFFFAOYSA-M
MW307.33 g/mol
LogP-0.89
Rot. Bonds6

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

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate (PubChem CID 7317127) has the molecular formula C15H19N2O5- and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate
PubChem CID7317127
Molecular FormulaC15H19N2O5-
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate
SMILESCOc1ccccc1N1CCN(C(=O)COCC(=O)[O-])CC1
InChIInChI=1S/C15H20N2O5/c1-21-13-5-3-2-4-12(13)16-6-8-17(9-7-16)14(18)10-22-11-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)/p-1
InChIKeyQQGCLJILXPRUFJ-UHFFFAOYSA-M
XLogP-0.89
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
2-isocyano-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 12017077
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 8867499
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 2204350
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9334137
2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9034088
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
1-[4-(2-ethylphenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 113075819
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110688170
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate?
The IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate (CID 7317127) is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate?
The canonical SMILES for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate is COc1ccccc1N1CCN(C(=O)COCC(=O)[O-])CC1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate?
The InChIKey is QQGCLJILXPRUFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H20N2O5/c1-21-13-5-3-2-4-12(13)16-6-8-17(9-7-16)14(18)10-22-11-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)/p-1.
What are the key properties of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate?
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate has a molecular weight of 307.33 g/mol, XLogP of -0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate is sourced from PubChem (CID 7317127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).