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

C12H15NO4 — CID 63133574

IUPAC1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C12H15NO4/c1-12(11(15)16)4-2-5-13(8-12)10(14)9-3-6-17-7-9/h3,6-7H,2,4-5,8H2,1H3,(H,15,16)
InChIKeyOWIIQPHAODMKET-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.61
Rot. Bonds2

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

1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63133574) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63133574
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C12H15NO4/c1-12(11(15)16)4-2-5-13(8-12)10(14)9-3-6-17-7-9/h3,6-7H,2,4-5,8H2,1H3,(H,15,16)
InChIKeyOWIIQPHAODMKET-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134146
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492
3-methyl-1-(3,4,5-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 63187130
1-(3-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133748
3-methyl-1-(2,3,4-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 79757244
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63134102
1-(5-chlorofuran-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133539
3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63134382
1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 55165489
1-(3-amino-4-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107813100

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid (CID 63133574) is 1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of 1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is OWIIQPHAODMKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-12(11(15)16)4-2-5-13(8-12)10(14)9-3-6-17-7-9/h3,6-7H,2,4-5,8H2,1H3,(H,15,16).
What are the key properties of 1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.61, 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)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63133574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).