5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid

C14H21NO4 — CID 79090059

IUPAC5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
SMILESCCOC1CCCN(C(C)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C14H21NO4/c1-3-18-11-5-4-8-15(9-11)10(2)12-6-7-13(19-12)14(16)17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyDMXNRMAJCQUXPW-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.54
Rot. Bonds5

About 5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid

5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid (PubChem CID 79090059) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
PubChem CID79090059
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
SMILESCCOC1CCCN(C(C)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C14H21NO4/c1-3-18-11-5-4-8-15(9-11)10(2)12-6-7-13(19-12)14(16)17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyDMXNRMAJCQUXPW-UHFFFAOYSA-N
XLogP2.54
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid (CID 79090059) is 5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid is CCOC1CCCN(C(C)c2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid?
The InChIKey is DMXNRMAJCQUXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-18-11-5-4-8-15(9-11)10(2)12-6-7-13(19-12)14(16)17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid?
5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79090059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).