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

C17H25NO4 — CID 120822409

IUPAC2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCCCC2CC(C)C)cc1C(=O)O
InChIInChI=1S/C17H25NO4/c1-4-14-13(17(20)21)10-15(22-14)16(19)18-8-6-5-7-12(18)9-11(2)3/h10-12H,4-9H2,1-3H3,(H,20,21)
InChIKeyPZRKWOACEIQDDG-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.58
Rot. Bonds5

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

2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid (PubChem CID 120822409) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid
PubChem CID120822409
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCCCC2CC(C)C)cc1C(=O)O
InChIInChI=1S/C17H25NO4/c1-4-14-13(17(20)21)10-15(22-14)16(19)18-8-6-5-7-12(18)9-11(2)3/h10-12H,4-9H2,1-3H3,(H,20,21)
InChIKeyPZRKWOACEIQDDG-UHFFFAOYSA-N
XLogP3.58
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid
CID 120822175
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821447
5-(2,6-dimethylazepane-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120821924
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435
5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120820566
[2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone
CID 112748524
[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 79539295
5-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821324
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 79560605
2-ethyl-5-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]furan-3-carboxylic acid
CID 120821164
2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 120822598

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid (CID 120822409) is 2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid is CCc1oc(C(=O)N2CCCCC2CC(C)C)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid?
The InChIKey is PZRKWOACEIQDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-14-13(17(20)21)10-15(22-14)16(19)18-8-6-5-7-12(18)9-11(2)3/h10-12H,4-9H2,1-3H3,(H,20,21).
What are the key properties of 2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid?
2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).