2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid

C15H20N2O4 — CID 2050633

IUPAC2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
SMILESCc1ccccc1OCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-12-4-2-3-5-13(12)21-11-14(18)17-8-6-16(7-9-17)10-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)
InChIKeyUDFAURUIXKYUPJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.60
Rot. Bonds5

About 2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid

2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid (PubChem CID 2050633) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
PubChem CID2050633
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
SMILESCc1ccccc1OCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-12-4-2-3-5-13(12)21-11-14(18)17-8-6-16(7-9-17)10-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)
InChIKeyUDFAURUIXKYUPJ-UHFFFAOYSA-N
XLogP0.60
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
2-(2-methylphenoxy)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297256
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 2669189
4-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 2050274
2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 37387185
N,N-diethyl-4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 110366149
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39572448
ethyl 4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carboxylate
CID 110799178
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39712313
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 55552002
1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 19296977

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid (CID 2050633) is 2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid is Cc1ccccc1OCC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid?
The InChIKey is UDFAURUIXKYUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-12-4-2-3-5-13(12)21-11-14(18)17-8-6-16(7-9-17)10-15(19)20/h2-5H,6-11H2,1H3,(H,19,20).
What are the key properties of 2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid?
2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 2050633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).