6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid

C16H22N2O5 — CID 122057167

IUPAC6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCCOC(=O)C1(COC)CCCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C16H22N2O5/c1-3-23-15(21)16(11-22-2)8-5-9-18(10-16)13-7-4-6-12(17-13)14(19)20/h4,6-7H,3,5,8-11H2,1-2H3,(H,19,20)
InChIKeyLVURYNWLNSIECC-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.58
Rot. Bonds6

About 6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid

6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122057167) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122057167
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCCOC(=O)C1(COC)CCCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C16H22N2O5/c1-3-23-15(21)16(11-22-2)8-5-9-18(10-16)13-7-4-6-12(17-13)14(19)20/h4,6-7H,3,5,8-11H2,1-2H3,(H,19,20)
InChIKeyLVURYNWLNSIECC-UHFFFAOYSA-N
XLogP1.58
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057874
6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 86282981
3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122033905
6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid
CID 122057759
6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid
CID 122051945
6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066
ethyl 6-piperidin-1-ylpyridine-2-carboxylate
CID 146501154
6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 129470689
6-(4-ethyl-3-oxo-1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 122056083
3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 122018248
ethyl 1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-(methoxymethyl)piperidine-3-carboxylate
CID 119051226
6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 62239023

Frequently Asked Questions

What is the IUPAC name of 6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid (CID 122057167) is 6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid is CCOC(=O)C1(COC)CCCN(c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is LVURYNWLNSIECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-3-23-15(21)16(11-22-2)8-5-9-18(10-16)13-7-4-6-12(17-13)14(19)20/h4,6-7H,3,5,8-11H2,1-2H3,(H,19,20).
What are the key properties of 6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).