5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid

C18H26N2O5 — CID 120821560

IUPAC5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
SMILESCCCCNC(=O)C1CCCN(C(=O)c2cc(C(=O)O)c(CC)o2)C1
InChIInChI=1S/C18H26N2O5/c1-3-5-8-19-16(21)12-7-6-9-20(11-12)17(22)15-10-13(18(23)24)14(4-2)25-15/h10,12H,3-9,11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyIALHJRZLYDYHID-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.31
Rot. Bonds7

About 5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid

5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120821560) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120821560
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
SMILESCCCCNC(=O)C1CCCN(C(=O)c2cc(C(=O)O)c(CC)o2)C1
InChIInChI=1S/C18H26N2O5/c1-3-5-8-19-16(21)12-7-6-9-20(11-12)17(22)15-10-13(18(23)24)14(4-2)25-15/h10,12H,3-9,11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyIALHJRZLYDYHID-UHFFFAOYSA-N
XLogP2.31
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821552
5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821755
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
2-ethyl-5-(4-ethylazepane-1-carbonyl)furan-3-carboxylic acid
CID 120822394
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide
CID 4074750
1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
CID 49407564
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide
CID 136519093
N-butyl-1-(2-methyl-4-nitrobenzoyl)piperidine-3-carboxamide
CID 60616560

Frequently Asked Questions

What is the IUPAC name of 5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid (CID 120821560) is 5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid is CCCCNC(=O)C1CCCN(C(=O)c2cc(C(=O)O)c(CC)o2)C1.
What is the InChIKey of 5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is IALHJRZLYDYHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-3-5-8-19-16(21)12-7-6-9-20(11-12)17(22)15-10-13(18(23)24)14(4-2)25-15/h10,12H,3-9,11H2,1-2H3,(H,19,21)(H,23,24).
What are the key properties of 5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120821560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).