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

C15H20N2O5 — CID 762521

IUPAC2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
SMILESCOc1ccc(N2CCN(C(=O)COCC(=O)O)CC2)cc1
InChIInChI=1S/C15H20N2O5/c1-21-13-4-2-12(3-5-13)16-6-8-17(9-7-16)14(18)10-22-11-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)
InChIKeyPKNHABGNEITWLY-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.44
Rot. Bonds6

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

2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid (PubChem CID 762521) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
PubChem CID762521
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
SMILESCOc1ccc(N2CCN(C(=O)COCC(=O)O)CC2)cc1
InChIInChI=1S/C15H20N2O5/c1-21-13-4-2-12(3-5-13)16-6-8-17(9-7-16)14(18)10-22-11-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)
InChIKeyPKNHABGNEITWLY-UHFFFAOYSA-N
XLogP0.44
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-(4-Methoxyphenyl)piperazin-1-yl)ethanone
CID 831828
5-(Hydroxymethyl)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 162535
(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid
CID 2735705
4-Acetaminophenoxyacetic acid
CID 101437
N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-2,3-dihydro-p-dioxin-5-carboxamide
CID 18112349
4-[3-(4-Methoxyanilino)-3-oxopropyl]-1-piperazinecarboxylic acid ethyl ester
CID 704276
Methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate
CID 1246650
Ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate
CID 2741385
N-(4-(2-Hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)acetamide
CID 39477
1-(4-(2-Methoxyphenyl)piperazin-1-yl)ethan-1-one
CID 4208154
N-(4-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethoxy)phenyl)acetamide (1d)
CID 91937736
4-[4-(4-Methoxyphenyl)piperazine-1-carbonyl]morpholine
CID 754983

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid (CID 762521) is 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid is COc1ccc(N2CCN(C(=O)COCC(=O)O)CC2)cc1.
What is the InChIKey of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The InChIKey is PKNHABGNEITWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-21-13-4-2-12(3-5-13)16-6-8-17(9-7-16)14(18)10-22-11-15(19)20/h2-5H,6-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid has a molecular weight of 308.33 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 762521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).