1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid

C12H15NO4 — CID 122083728

IUPAC1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1ccoc1
InChIInChI=1S/C12H15NO4/c1-8-2-3-9(12(15)16)6-13(8)11(14)10-4-5-17-7-10/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)
InChIKeyAMNWBXFVJQXSDT-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.60
Rot. Bonds2

About 1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122083728) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122083728
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1ccoc1
InChIInChI=1S/C12H15NO4/c1-8-2-3-9(12(15)16)6-13(8)11(14)10-4-5-17-7-10/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)
InChIKeyAMNWBXFVJQXSDT-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
(3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 167751397
6-methyl-1-[4-(trifluoromethylsulfanyl)benzoyl]piperidine-3-carboxylic acid
CID 122083736
6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 122114234
6-methyl-1-(4-prop-2-enoxybenzoyl)piperidine-3-carboxylic acid
CID 122083617
(3S,6R)-1-[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 166317624
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113497
1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083524
6-methyl-1-(5-methylsulfanylfuran-2-carbonyl)piperidine-3-carboxylic acid
CID 122113590
6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid
CID 122114222
1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122083728) is 1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)c1ccoc1.
What is the InChIKey of 1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is AMNWBXFVJQXSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-2-3-9(12(15)16)6-13(8)11(14)10-4-5-17-7-10/h4-5,7-9H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122083728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).