5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid

C16H24N2O7S — CID 119179323

IUPAC5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
SMILESCCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C16H24N2O7S/c1-2-24-11-3-8-17-15(19)12-6-9-18(10-7-12)26(22,23)14-5-4-13(25-14)16(20)21/h4-5,12H,2-3,6-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyTVZZYEOSTWYPNF-UHFFFAOYSA-N
MW388.44 g/mol
LogP0.92
Rot. Bonds9

About 5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid

5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid (PubChem CID 119179323) has the molecular formula C16H24N2O7S and a molecular weight of 388.44 g/mol. Its IUPAC name is 5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
PubChem CID119179323
Molecular FormulaC16H24N2O7S
Molecular Weight388.44 g/mol
Exact Mass388.13
IUPAC Name5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
SMILESCCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C16H24N2O7S/c1-2-24-11-3-8-17-15(19)12-6-9-18(10-7-12)26(22,23)14-5-4-13(25-14)16(20)21/h4-5,12H,2-3,6-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyTVZZYEOSTWYPNF-UHFFFAOYSA-N
XLogP0.92
TPSA126.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 26776108
N-(3-ethoxypropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27680479
ethyl 5-[4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55650324
methyl 5-[4-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 91949851
N-(3-ethoxypropyl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 86988855
N-(3-butoxypropyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 27682716
ethyl 5-[4-[(4-ethylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55650662
4-[[[4-(3-ethoxypropylcarbamoyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019796
1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2187606
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethoxyethyl)piperidine-4-carboxamide
CID 78903052
5-[4-(2,5-dimethylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120552103
1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide
CID 55861964

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid (CID 119179323) is 5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid is CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid?
The InChIKey is TVZZYEOSTWYPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O7S/c1-2-24-11-3-8-17-15(19)12-6-9-18(10-7-12)26(22,23)14-5-4-13(25-14)16(20)21/h4-5,12H,2-3,6-11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid?
5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid has a molecular weight of 388.44 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 119179323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).