5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid

C16H24N2O3 — CID 21490902

IUPAC5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid
SMILESCCCCc1c(OC)cc(C(=O)O)nc1N1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-3-4-8-12-14(21-2)11-13(16(19)20)17-15(12)18-9-6-5-7-10-18/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyPKZMJGHIEXFEHC-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.12
Rot. Bonds6

About 5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid

5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid (PubChem CID 21490902) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid
PubChem CID21490902
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid
SMILESCCCCc1c(OC)cc(C(=O)O)nc1N1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-3-4-8-12-14(21-2)11-13(16(19)20)17-15(12)18-9-6-5-7-10-18/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyPKZMJGHIEXFEHC-UHFFFAOYSA-N
XLogP3.12
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid?
The IUPAC name of 5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid (CID 21490902) is 5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid?
The canonical SMILES for 5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid is CCCCc1c(OC)cc(C(=O)O)nc1N1CCCCC1.
What is the InChIKey of 5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid?
The InChIKey is PKZMJGHIEXFEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-8-12-14(21-2)11-13(16(19)20)17-15(12)18-9-6-5-7-10-18/h11H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid?
5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 21490902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).