1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid

C11H13NO4 — CID 39196876

IUPAC1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid
SMILESO=Cc1ccc(N2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C11H13NO4/c13-7-9-1-2-10(16-9)12-5-3-8(4-6-12)11(14)15/h1-2,7-8H,3-6H2,(H,14,15)
InChIKeyVSCUBKWEUNGUDJ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.39
Rot. Bonds3

About 1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid

1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid (PubChem CID 39196876) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid
PubChem CID39196876
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid
SMILESO=Cc1ccc(N2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C11H13NO4/c13-7-9-1-2-10(16-9)12-5-3-8(4-6-12)11(14)15/h1-2,7-8H,3-6H2,(H,14,15)
InChIKeyVSCUBKWEUNGUDJ-UHFFFAOYSA-N
XLogP1.39
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(Dimethylamino)furan-2-carbaldehyde
CID 802276
5-Diethylamino-Furan-2-Carbaldehyde
CID 768638
5-(4-Methylpiperidin-1-yl)furan-2-carbaldehyde
CID 3160428
5-(Piperidin-1-yl)furan-2-carbaldehyde
CID 601613
5-Morpholin-4-yl-2-furaldehyde
CID 602308
1-(furan-2-carbonyl)piperidine-4-carboxylic Acid
CID 1132657
5-(Pyrrolidin-1-yl)furan-2-carbaldehyde
CID 801481
Tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate
CID 46863955
ethyl (2E)-2-cyano-3-(5-piperidyl(2-furyl))prop-2-enoate
CID 798030
tert-Butyl 1-(5-formylfuran-2-yl)piperidine-4-carboxylate
CID 132343731
5-Formyl-N,N,N-trimethylfuran-2-aminium chloride
CID 12938345
5-[2,5-Dihydroxy-3-(trifluoromethyl)-2,5-dihydropyrrol-1-yl]furan-2-carboxylic acid
CID 141510413

Frequently Asked Questions

What is the IUPAC name of 1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid (CID 39196876) is 1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid is O=Cc1ccc(N2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid?
The InChIKey is VSCUBKWEUNGUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-7-9-1-2-10(16-9)12-5-3-8(4-6-12)11(14)15/h1-2,7-8H,3-6H2,(H,14,15).
What are the key properties of 1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid?
1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-formylfuran-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 39196876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).