2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid

C16H21NO3 — CID 66364780

IUPAC2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CC1Cc2ccccc2O1
InChIInChI=1S/C16H21NO3/c18-16(19)10-13-6-3-4-8-17(13)11-14-9-12-5-1-2-7-15(12)20-14/h1-2,5,7,13-14H,3-4,6,8-11H2,(H,18,19)
InChIKeyBHLBOLIILUCMHX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.32
Rot. Bonds4

About 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid

2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid (PubChem CID 66364780) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid
PubChem CID66364780
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CC1Cc2ccccc2O1
InChIInChI=1S/C16H21NO3/c18-16(19)10-13-6-3-4-8-17(13)11-14-9-12-5-1-2-7-15(12)20-14/h1-2,5,7,13-14H,3-4,6,8-11H2,(H,18,19)
InChIKeyBHLBOLIILUCMHX-UHFFFAOYSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic 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-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azepan-2-yl]propan-2-one
CID 79541745
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338733
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine
CID 66365373
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
CID 66364000
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
CID 62234275
[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]azepan-2-yl]methanol
CID 116637752
1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone
CID 60977167
[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine
CID 66364320
8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738570
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111106984
(2R)-1-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703360
2-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-2-yl]acetic acid
CID 61372497

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid (CID 66364780) is 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1CC1Cc2ccccc2O1.
What is the InChIKey of 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid?
The InChIKey is BHLBOLIILUCMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(19)10-13-6-3-4-8-17(13)11-14-9-12-5-1-2-7-15(12)20-14/h1-2,5,7,13-14H,3-4,6,8-11H2,(H,18,19).
What are the key properties of 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid?
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 66364780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).