1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid

C14H19NO4 — CID 122083917

IUPAC1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)CCC2C)c(C)o1
InChIInChI=1S/C14H19NO4/c1-8-4-5-11(14(17)18)7-15(8)13(16)12-6-9(2)19-10(12)3/h6,8,11H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyKZUCQCGXWZHXHU-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.22
Rot. Bonds2

About 1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122083917) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122083917
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)CCC2C)c(C)o1
InChIInChI=1S/C14H19NO4/c1-8-4-5-11(14(17)18)7-15(8)13(16)12-6-9(2)19-10(12)3/h6,8,11H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyKZUCQCGXWZHXHU-UHFFFAOYSA-N
XLogP2.22
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113960
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 128927247
1-(5-bromo-3-methylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113905
1-(5,6-dimethyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112700
1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112886
1-(2,4-dimethyl-5-nitrobenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112684
1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112968
1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122113714
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 81212071
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122083917) is 1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid is Cc1cc(C(=O)N2CC(C(=O)O)CCC2C)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is KZUCQCGXWZHXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-4-5-11(14(17)18)7-15(8)13(16)12-6-9(2)19-10(12)3/h6,8,11H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of 1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122083917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).