1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid

C12H15NO4 — CID 573285

IUPAC1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
SMILESCc1ccc(C(=O)N2CCCCC2C(=O)O)o1
InChIInChI=1S/C12H15NO4/c1-8-5-6-10(17-8)11(14)13-7-3-2-4-9(13)12(15)16/h5-6,9H,2-4,7H2,1H3,(H,15,16)
InChIKeyRNCDNDUTGFYJQM-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.67
Rot. Bonds2

About 1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid

1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 573285) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID573285
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
SMILESCc1ccc(C(=O)N2CCCCC2C(=O)O)o1
InChIInChI=1S/C12H15NO4/c1-8-5-6-10(17-8)11(14)13-7-3-2-4-9(13)12(15)16/h5-6,9H,2-4,7H2,1H3,(H,15,16)
InChIKeyRNCDNDUTGFYJQM-UHFFFAOYSA-N
XLogP1.67
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid (CID 573285) is 1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid is Cc1ccc(C(=O)N2CCCCC2C(=O)O)o1.
What is the InChIKey of 1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is RNCDNDUTGFYJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-5-6-10(17-8)11(14)13-7-3-2-4-9(13)12(15)16/h5-6,9H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid?
1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 573285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).