4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid

C15H19NO3 — CID 82624016

IUPAC4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CC(c2ccc3c(c2)OCC3)C(C(=O)O)CN1
InChIInChI=1S/C15H19NO3/c1-9-6-12(13(8-16-9)15(17)18)11-3-2-10-4-5-19-14(10)7-11/h2-3,7,9,12-13,16H,4-6,8H2,1H3,(H,17,18)
InChIKeyGSKHNTMXVDUQKL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.79
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid

4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 82624016) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid
PubChem CID82624016
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CC(c2ccc3c(c2)OCC3)C(C(=O)O)CN1
InChIInChI=1S/C15H19NO3/c1-9-6-12(13(8-16-9)15(17)18)11-3-2-10-4-5-19-14(10)7-11/h2-3,7,9,12-13,16H,4-6,8H2,1H3,(H,17,18)
InChIKeyGSKHNTMXVDUQKL-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydro-1-benzofuran-6-yl)-6-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

4-(1,3-benzodioxol-5-yl)-6-methylpiperidine-3-carboxylic acid
CID 82624474
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 43810297
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexane-1-carboxylic acid
CID 104545126
acetic acid;6-methyl-2,3-dihydro-1-benzofuran
CID 156753873
2-[2-(2,3-dihydro-1-benzofuran-6-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid
CID 171618610
2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
CID 116918567
(3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine
CID 96748686
4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid
CID 82626536
6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine
CID 82390274
(2S,3R)-2-benzyl-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidine-3-carboxylic acid
CID 142120770

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid (CID 82624016) is 4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid is CC1CC(c2ccc3c(c2)OCC3)C(C(=O)O)CN1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is GSKHNTMXVDUQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-6-12(13(8-16-9)15(17)18)11-3-2-10-4-5-19-14(10)7-11/h2-3,7,9,12-13,16H,4-6,8H2,1H3,(H,17,18).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid?
4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 82624016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).