2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid

C21H24N2O4 — CID 72851793

IUPAC2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid
SMILESO=C(O)C(c1cccc2c1OCC2)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C21H24N2O4/c24-21(25)19(18-5-1-4-16-8-12-26-20(16)18)23-10-6-17(7-11-23)27-14-15-3-2-9-22-13-15/h1-5,9,13,17,19H,6-8,10-12,14H2,(H,24,25)
InChIKeyMOZRPGVKTSWSEO-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.82
Rot. Bonds6

About 2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid

2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid (PubChem CID 72851793) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid
PubChem CID72851793
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid
SMILESO=C(O)C(c1cccc2c1OCC2)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C21H24N2O4/c24-21(25)19(18-5-1-4-16-8-12-26-20(16)18)23-10-6-17(7-11-23)27-14-15-3-2-9-22-13-15/h1-5,9,13,17,19H,6-8,10-12,14H2,(H,24,25)
InChIKeyMOZRPGVKTSWSEO-UHFFFAOYSA-N
XLogP2.82
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid (CID 72851793) is 2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid is O=C(O)C(c1cccc2c1OCC2)N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid?
The InChIKey is MOZRPGVKTSWSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-21(25)19(18-5-1-4-16-8-12-26-20(16)18)23-10-6-17(7-11-23)27-14-15-3-2-9-22-13-15/h1-5,9,13,17,19H,6-8,10-12,14H2,(H,24,25).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid?
2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid has a molecular weight of 368.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid is sourced from PubChem (CID 72851793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).