2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid

C16H22N2O4 — CID 119134967

IUPAC2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
SMILESCOc1ccc(CCC(=O)N2CCN(CC(=O)O)CC2)cc1
InChIInChI=1S/C16H22N2O4/c1-22-14-5-2-13(3-6-14)4-7-15(19)18-10-8-17(9-11-18)12-16(20)21/h2-3,5-6H,4,7-12H2,1H3,(H,20,21)
InChIKeyZDBFEACQVJKIBM-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.86
Rot. Bonds6

About 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid

2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid (PubChem CID 119134967) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
PubChem CID119134967
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
SMILESCOc1ccc(CCC(=O)N2CCN(CC(=O)O)CC2)cc1
InChIInChI=1S/C16H22N2O4/c1-22-14-5-2-13(3-6-14)4-7-15(19)18-10-8-17(9-11-18)12-16(20)21/h2-3,5-6H,4,7-12H2,1H3,(H,20,21)
InChIKeyZDBFEACQVJKIBM-UHFFFAOYSA-N
XLogP0.86
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709767
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110356972
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
3-(4-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 110611236
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide
CID 47081322
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 71783123
1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110366922
3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 4822535
ethyl 4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110799154

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid (CID 119134967) is 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid is COc1ccc(CCC(=O)N2CCN(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid?
The InChIKey is ZDBFEACQVJKIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-22-14-5-2-13(3-6-14)4-7-15(19)18-10-8-17(9-11-18)12-16(20)21/h2-3,5-6H,4,7-12H2,1H3,(H,20,21).
What are the key properties of 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid?
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid has a molecular weight of 306.36 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 119134967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).