1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid

C15H19NO5 — CID 106741876

IUPAC1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(C(=O)O)CC2C)c(O)c1
InChIInChI=1S/C15H19NO5/c1-9-7-10(15(19)20)5-6-16(9)14(18)12-4-3-11(21-2)8-13(12)17/h3-4,8-10,17H,5-7H2,1-2H3,(H,19,20)
InChIKeyIRNXQYKLXFGWBL-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.73
Rot. Bonds3

About 1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid

1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106741876) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106741876
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(C(=O)O)CC2C)c(O)c1
InChIInChI=1S/C15H19NO5/c1-9-7-10(15(19)20)5-6-16(9)14(18)12-4-3-11(21-2)8-13(12)17/h3-4,8-10,17H,5-7H2,1-2H3,(H,19,20)
InChIKeyIRNXQYKLXFGWBL-UHFFFAOYSA-N
XLogP1.73
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid (CID 106741876) is 1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid is COc1ccc(C(=O)N2CCC(C(=O)O)CC2C)c(O)c1.
What is the InChIKey of 1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is IRNXQYKLXFGWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9-7-10(15(19)20)5-6-16(9)14(18)12-4-3-11(21-2)8-13(12)17/h3-4,8-10,17H,5-7H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid?
1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106741876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).