5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid

C14H19NO3 — CID 113305090

IUPAC5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid
SMILESCOc1ccc(N2CCC(C)CC2)c(C(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-10-5-7-15(8-6-10)13-4-3-11(18-2)9-12(13)14(16)17/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)
InChIKeyFPRUOZRIOUPMEX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.63
Rot. Bonds3

About 5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid

5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid (PubChem CID 113305090) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid
PubChem CID113305090
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid
SMILESCOc1ccc(N2CCC(C)CC2)c(C(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-10-5-7-15(8-6-10)13-4-3-11(18-2)9-12(13)14(16)17/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)
InChIKeyFPRUOZRIOUPMEX-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(4-methylazepan-1-yl)benzoic acid
CID 81309603
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid
CID 115411273
5-[(2,5-dimethoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50766586
5-fluoro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 43312941
1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
CID 117338408
2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 1063866
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
CID 17102771
6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid
CID 117102613
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3643543
5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid
CID 115411659
5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 1067260

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid?
The IUPAC name of 5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid (CID 113305090) is 5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid?
The canonical SMILES for 5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid is COc1ccc(N2CCC(C)CC2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid?
The InChIKey is FPRUOZRIOUPMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-5-7-15(8-6-10)13-4-3-11(18-2)9-12(13)14(16)17/h3-4,9-10H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid?
5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid is sourced from PubChem (CID 113305090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).