1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid

C13H15NO4 — CID 24690057

IUPAC1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)/C=C/c2ccco2)CC1
InChIInChI=1S/C13H15NO4/c15-12(4-3-11-2-1-9-18-11)14-7-5-10(6-8-14)13(16)17/h1-4,9-10H,5-8H2,(H,16,17)/b4-3+
InChIKeyZAZBAEJBZLOGNX-ONEGZZNKSA-N
MW249.27 g/mol
LogP1.62
Rot. Bonds3

About 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid

1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid (PubChem CID 24690057) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid
PubChem CID24690057
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)/C=C/c2ccco2)CC1
InChIInChI=1S/C13H15NO4/c15-12(4-3-11-2-1-9-18-11)14-7-5-10(6-8-14)13(16)17/h1-4,9-10H,5-8H2,(H,16,17)/b4-3+
InChIKeyZAZBAEJBZLOGNX-ONEGZZNKSA-N
XLogP1.62
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-{[3-(2-Furyl)acryloyl]amino}butanoic acid
CID 2181119
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2099363
4-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 2044775
3,5-Dimethyl-1-[3-(5-methyl-2-furyl)acryloyl]piperidine
CID 5865129
6-(3-Furan-2-yl-acryloylamino)-hexanoic acid
CID 5750692
4-(5-(Furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
CID 1201156
methyl (4Z)-4-(furan-2-ylmethylidene)-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
CID 2270699
methyl (4Z)-1-ethyl-4-(furan-2-ylmethylidene)-2-methyl-5-oxopyrrole-3-carboxylate
CID 2300736
1-(furan-2-carbonyl)piperidine-4-carboxylic Acid
CID 1132657
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 2371620
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6283919
1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxamide
CID 2129213

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid (CID 24690057) is 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)/C=C/c2ccco2)CC1.
What is the InChIKey of 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid?
The InChIKey is ZAZBAEJBZLOGNX-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(4-3-11-2-1-9-18-11)14-7-5-10(6-8-14)13(16)17/h1-4,9-10H,5-8H2,(H,16,17)/b4-3+.
What are the key properties of 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid?
1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 24690057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).