4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid

C15H21N3O5 — CID 22293834

IUPAC4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid
SMILESCCOC(=O)COc1cccnc1NC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H21N3O5/c1-2-22-13(19)10-23-12-4-3-7-16-14(12)17-11-5-8-18(9-6-11)15(20)21/h3-4,7,11H,2,5-6,8-10H2,1H3,(H,16,17)(H,20,21)
InChIKeyKCGNZOZQQTUGIW-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.58
Rot. Bonds6

About 4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid

4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid (PubChem CID 22293834) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid
PubChem CID22293834
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid
SMILESCCOC(=O)COc1cccnc1NC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H21N3O5/c1-2-22-13(19)10-23-12-4-3-7-16-14(12)17-11-5-8-18(9-6-11)15(20)21/h3-4,7,11H,2,5-6,8-10H2,1H3,(H,16,17)(H,20,21)
InChIKeyKCGNZOZQQTUGIW-UHFFFAOYSA-N
XLogP1.58
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid (CID 22293834) is 4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid is CCOC(=O)COc1cccnc1NC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid?
The InChIKey is KCGNZOZQQTUGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-2-22-13(19)10-23-12-4-3-7-16-14(12)17-11-5-8-18(9-6-11)15(20)21/h3-4,7,11H,2,5-6,8-10H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid?
4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-ethoxy-2-oxoethoxy)-2-pyridinyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 22293834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).