2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid

C14H19NO4 — CID 115270705

IUPAC2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid
SMILESCc1ccc(CC(=O)N2CCCCC2(C)C(=O)O)o1
InChIInChI=1S/C14H19NO4/c1-10-5-6-11(19-10)9-12(16)15-8-4-3-7-14(15,2)13(17)18/h5-6H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyCQECMBNYMCUAJC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.99
Rot. Bonds3

About 2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid

2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 115270705) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID115270705
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid
SMILESCc1ccc(CC(=O)N2CCCCC2(C)C(=O)O)o1
InChIInChI=1S/C14H19NO4/c1-10-5-6-11(19-10)9-12(16)15-8-4-3-7-14(15,2)13(17)18/h5-6H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyCQECMBNYMCUAJC-UHFFFAOYSA-N
XLogP1.99
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one
CID 115275864
1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595397
1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone
CID 115273139
2-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]piperidine-2-carboxylic acid
CID 104594818
4,4-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one
CID 115276812
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356
1-(5-bromofuran-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595385
1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595208
1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
CID 115270714
1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
CID 113430942
2-methyl-1-[3-(propan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 113430915

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid (CID 115270705) is 2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid is Cc1ccc(CC(=O)N2CCCCC2(C)C(=O)O)o1.
What is the InChIKey of 2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is CQECMBNYMCUAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-5-6-11(19-10)9-12(16)15-8-4-3-7-14(15,2)13(17)18/h5-6H,3-4,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid?
2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 115270705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).