4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid

C11H19NO4 — CID 66988282

IUPAC4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid
SMILESCCOC(=O)C1(CC)CCN(C(=O)O)CC1
InChIInChI=1S/C11H19NO4/c1-3-11(9(13)16-4-2)5-7-12(8-6-11)10(14)15/h3-8H2,1-2H3,(H,14,15)
InChIKeyWNPFARBZWUFWKQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds3

About 4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid

4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid (PubChem CID 66988282) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid
PubChem CID66988282
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid
SMILESCCOC(=O)C1(CC)CCN(C(=O)O)CC1
InChIInChI=1S/C11H19NO4/c1-3-11(9(13)16-4-2)5-7-12(8-6-11)10(14)15/h3-8H2,1-2H3,(H,14,15)
InChIKeyWNPFARBZWUFWKQ-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid?
The IUPAC name of 4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid (CID 66988282) is 4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid is CCOC(=O)C1(CC)CCN(C(=O)O)CC1.
What is the InChIKey of 4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid?
The InChIKey is WNPFARBZWUFWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-11(9(13)16-4-2)5-7-12(8-6-11)10(14)15/h3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid?
4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-4-ethylpiperidine-1-carboxylic acid is sourced from PubChem (CID 66988282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).