5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid

C13H18N2O4 — CID 90389751

IUPAC5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid
SMILESCOc1ccnc(OC2CCC(C)N(C(=O)O)C2)c1
InChIInChI=1S/C13H18N2O4/c1-9-3-4-11(8-15(9)13(16)17)19-12-7-10(18-2)5-6-14-12/h5-7,9,11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyXAWQJKIXFQJHCI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.00
Rot. Bonds3

About 5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid

5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid (PubChem CID 90389751) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid
PubChem CID90389751
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid
SMILESCOc1ccnc(OC2CCC(C)N(C(=O)O)C2)c1
InChIInChI=1S/C13H18N2O4/c1-9-3-4-11(8-15(9)13(16)17)19-12-7-10(18-2)5-6-14-12/h5-7,9,11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyXAWQJKIXFQJHCI-UHFFFAOYSA-N
XLogP2.00
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid?
The IUPAC name of 5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid (CID 90389751) is 5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid is COc1ccnc(OC2CCC(C)N(C(=O)O)C2)c1.
What is the InChIKey of 5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid?
The InChIKey is XAWQJKIXFQJHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-3-4-11(8-15(9)13(16)17)19-12-7-10(18-2)5-6-14-12/h5-7,9,11H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid?
5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 90389751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).