2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid

C15H19NO5 — CID 117473276

IUPAC2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid
SMILESCOc1cccc(C(=O)C(=O)O)c1OC1CCCN(C)C1
InChIInChI=1S/C15H19NO5/c1-16-8-4-5-10(9-16)21-14-11(13(17)15(18)19)6-3-7-12(14)20-2/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,18,19)
InChIKeyPCIYRBLYCHZLMA-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.44
Rot. Bonds5

About 2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid

2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid (PubChem CID 117473276) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid
PubChem CID117473276
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid
SMILESCOc1cccc(C(=O)C(=O)O)c1OC1CCCN(C)C1
InChIInChI=1S/C15H19NO5/c1-16-8-4-5-10(9-16)21-14-11(13(17)15(18)19)6-3-7-12(14)20-2/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,18,19)
InChIKeyPCIYRBLYCHZLMA-UHFFFAOYSA-N
XLogP1.44
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493379
2-methoxy-3-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005109
3-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444674
1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117470886
1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol
CID 117475037
4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
CID 117417074
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
2-(1-methylazepan-4-yl)oxybenzoic acid
CID 117053972
3-amino-2-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 117095909
[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
CID 117052051
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117473467
ethane;1-methyl-3-phenoxypiperidine
CID 176561362

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid?
The IUPAC name of 2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid (CID 117473276) is 2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid.
What is the SMILES notation for 2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid?
The canonical SMILES for 2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid is COc1cccc(C(=O)C(=O)O)c1OC1CCCN(C)C1.
What is the InChIKey of 2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid?
The InChIKey is PCIYRBLYCHZLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-16-8-4-5-10(9-16)21-14-11(13(17)15(18)19)6-3-7-12(14)20-2/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid?
2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid is sourced from PubChem (CID 117473276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).