2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid

C15H21NO5 — CID 120822043

IUPAC2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCC(O)(CC)CC2)cc1C(=O)O
InChIInChI=1S/C15H21NO5/c1-3-11-10(14(18)19)9-12(21-11)13(17)16-7-5-15(20,4-2)6-8-16/h9,20H,3-8H2,1-2H3,(H,18,19)
InChIKeyDKHOFIMESLPJPQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.92
Rot. Bonds4

About 2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid

2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid (PubChem CID 120822043) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid
PubChem CID120822043
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCC(O)(CC)CC2)cc1C(=O)O
InChIInChI=1S/C15H21NO5/c1-3-11-10(14(18)19)9-12(21-11)13(17)16-7-5-15(20,4-2)6-8-16/h9,20H,3-8H2,1-2H3,(H,18,19)
InChIKeyDKHOFIMESLPJPQ-UHFFFAOYSA-N
XLogP1.92
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-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

5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120820566
2-ethyl-5-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]furan-3-carboxylic acid
CID 120821164
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
5-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821324
2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid
CID 120822739
5-[(6S)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 129465623
2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120821717
5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822008
2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
CID 120822379
2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid
CID 120820891
2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120821642
5-(6-bromo-8-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822744

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid (CID 120822043) is 2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid is CCc1oc(C(=O)N2CCC(O)(CC)CC2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid?
The InChIKey is DKHOFIMESLPJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-11-10(14(18)19)9-12(21-11)13(17)16-7-5-15(20,4-2)6-8-16/h9,20H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid?
2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 120822043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).