2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid

C20H23NO4 — CID 120821717

IUPAC2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCC(c3ccccc3C)CC2)cc1C(=O)O
InChIInChI=1S/C20H23NO4/c1-3-17-16(20(23)24)12-18(25-17)19(22)21-10-8-14(9-11-21)15-7-5-4-6-13(15)2/h4-7,12,14H,3,8-11H2,1-2H3,(H,23,24)
InChIKeyZEEVUXHWXCNUAD-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.87
Rot. Bonds4

About 2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid

2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid (PubChem CID 120821717) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid
PubChem CID120821717
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCC(c3ccccc3C)CC2)cc1C(=O)O
InChIInChI=1S/C20H23NO4/c1-3-17-16(20(23)24)12-18(25-17)19(22)21-10-8-14(9-11-21)15-7-5-4-6-13(15)2/h4-7,12,14H,3,8-11H2,1-2H3,(H,23,24)
InChIKeyZEEVUXHWXCNUAD-UHFFFAOYSA-N
XLogP3.87
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120820566
2-ethyl-5-(4-ethylazepane-1-carbonyl)furan-3-carboxylic acid
CID 120822394
2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120821642
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
2-ethyl-5-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]furan-3-carboxylic acid
CID 120821164
2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid
CID 120822043
2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 120822598
2-ethyl-5-(7-methyl-2,3-dihydroindole-1-carbonyl)furan-3-carboxylic acid
CID 120822430
3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide
CID 56782455
5-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821324
2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
CID 120822635
2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid
CID 120822318

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid (CID 120821717) is 2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid is CCc1oc(C(=O)N2CCC(c3ccccc3C)CC2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid?
The InChIKey is ZEEVUXHWXCNUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-17-16(20(23)24)12-18(25-17)19(22)21-10-8-14(9-11-21)15-7-5-4-6-13(15)2/h4-7,12,14H,3,8-11H2,1-2H3,(H,23,24).
What are the key properties of 2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid?
2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).