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

C14H19NO4 — CID 122113561

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

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

1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122113561) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122113561
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CC(C(=O)O)CCC2C)o1
InChIInChI=1S/C14H19NO4/c1-8-6-10(3)19-12(8)13(16)15-7-11(14(17)18)5-4-9(15)2/h6,9,11H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyCVJVIVHTUOOMNE-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-(5-bromo-3-methylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113905
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112855
cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678770
1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122114404
1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
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-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112968
6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 122114234
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113960

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122113561) is 1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid is Cc1cc(C)c(C(=O)N2CC(C(=O)O)CCC2C)o1.
What is the InChIKey of 1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is CVJVIVHTUOOMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-6-10(3)19-12(8)13(16)15-7-11(14(17)18)5-4-9(15)2/h6,9,11H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of 1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(3,5-dimethylfuran-2-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-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122113561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).