3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid

C15H22N2O3 — CID 72881029

IUPAC3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C15H22N2O3/c1-20-10-6-15(14(18)19)5-2-9-17(12-15)11-13-3-7-16-8-4-13/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,18,19)
InChIKeyPTZGERRVWYLUIX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.78
Rot. Bonds6

About 3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid

3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 72881029) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
PubChem CID72881029
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C15H22N2O3/c1-20-10-6-15(14(18)19)5-2-9-17(12-15)11-13-3-7-16-8-4-13/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,18,19)
InChIKeyPTZGERRVWYLUIX-UHFFFAOYSA-N
XLogP1.78
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chloro-5-fluorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 72865415
(3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97121145
[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
3-(2-methoxyethyl)-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid
CID 72847501
(3R)-3-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylic acid
CID 97115195
(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 95402837
(3R)-3-(2-methoxyethyl)-1-[(4-methoxy-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 97146296
(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97122214
3-[(2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 56863920
3-(2-methoxyethyl)-1-[(5-propylfuran-2-yl)methyl]piperidine-3-carboxylic acid
CID 72934146
1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 68587067
(3S)-1-[(2-fluoro-5-methylphenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97148386

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid (CID 72881029) is 3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid is COCCC1(C(=O)O)CCCN(Cc2ccncc2)C1.
What is the InChIKey of 3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is PTZGERRVWYLUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-10-6-15(14(18)19)5-2-9-17(12-15)11-13-3-7-16-8-4-13/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,18,19).
What are the key properties of 3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72881029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).