2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid

C15H20N2O4 — CID 60662805

IUPAC2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
SMILESCc1ccccc1N1CCN(C(=O)COCC(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-12-4-2-3-5-13(12)16-6-8-17(9-7-16)14(18)10-21-11-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)
InChIKeyWFAWTKMCMMLODB-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.74
Rot. Bonds5

About 2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid

2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid (PubChem CID 60662805) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
PubChem CID60662805
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
SMILESCc1ccccc1N1CCN(C(=O)COCC(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-12-4-2-3-5-13(12)16-6-8-17(9-7-16)14(18)10-21-11-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)
InChIKeyWFAWTKMCMMLODB-UHFFFAOYSA-N
XLogP0.74
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 115593324
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
1-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 97128511
2-(2-aminoethoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 79463430
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
2-tert-butylsulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 112766349
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952731
5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
CID 121449060
1-[4-(2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 112766306
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate
CID 7317127
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 2669189

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid (CID 60662805) is 2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid is Cc1ccccc1N1CCN(C(=O)COCC(=O)O)CC1.
What is the InChIKey of 2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The InChIKey is WFAWTKMCMMLODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-12-4-2-3-5-13(12)16-6-8-17(9-7-16)14(18)10-21-11-15(19)20/h2-5H,6-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 60662805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).