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

C15H23NO3 — CID 112734478

IUPAC5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid
SMILESCCC1CCC(C)N(C(C)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C15H23NO3/c1-4-12-6-5-10(2)16(9-12)11(3)13-7-8-14(19-13)15(17)18/h7-8,10-12H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyWOFJEFXZBCOPTJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.55
Rot. Bonds4

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

5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid (PubChem CID 112734478) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid
PubChem CID112734478
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid
SMILESCCC1CCC(C)N(C(C)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C15H23NO3/c1-4-12-6-5-10(2)16(9-12)11(3)13-7-8-14(19-13)15(17)18/h7-8,10-12H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyWOFJEFXZBCOPTJ-UHFFFAOYSA-N
XLogP3.55
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083753
5-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]furan-2-carboxylic acid
CID 79084540
5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid
CID 79083918
5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid
CID 103253786
5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79090059
5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083924
5-[1-(3-methoxypyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 103535178
5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090935
5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 83100910
5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)furan-2-carboxylic acid
CID 83220072
5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 81204459
5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid
CID 79089965

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid (CID 112734478) is 5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid is CCC1CCC(C)N(C(C)c2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid?
The InChIKey is WOFJEFXZBCOPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-12-6-5-10(2)16(9-12)11(3)13-7-8-14(19-13)15(17)18/h7-8,10-12H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid?
5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 112734478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).