4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid

C13H17NO4 — CID 63124826

IUPAC4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C13H17NO4/c1-2-13(12(16)17)4-6-14(7-5-13)11(15)10-3-8-18-9-10/h3,8-9H,2,4-7H2,1H3,(H,16,17)
InChIKeyFFUKLTRHYWQYOB-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.00
Rot. Bonds3

About 4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid

4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63124826) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID63124826
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C13H17NO4/c1-2-13(12(16)17)4-6-14(7-5-13)11(15)10-3-8-18-9-10/h3,8-9H,2,4-7H2,1H3,(H,16,17)
InChIKeyFFUKLTRHYWQYOB-UHFFFAOYSA-N
XLogP2.00
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106752604
1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134146
4-ethyl-1-(4-methylsulfanylbenzoyl)piperidine-4-carboxylic acid
CID 63125324
[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(furan-3-yl)methanone
CID 70751006
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid
CID 63125392
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472729
3-ethyl-1-(4-propan-2-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146683
3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 65064280
furan-3-yl-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]methanone
CID 110905169

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid (CID 63124826) is 4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is FFUKLTRHYWQYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-13(12(16)17)4-6-14(7-5-13)11(15)10-3-8-18-9-10/h3,8-9H,2,4-7H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63124826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).