2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid

C19H26N2O3 — CID 72839849

IUPAC2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid
SMILESO=C(O)C(c1cccc2c1OCC2)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C19H26N2O3/c22-19(23)17(16-5-3-4-14-8-13-24-18(14)16)21-11-6-15(7-12-21)20-9-1-2-10-20/h3-5,15,17H,1-2,6-13H2,(H,22,23)
InChIKeyCRJQDEPRJMLBOU-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.31
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid

2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid (PubChem CID 72839849) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid
PubChem CID72839849
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid
SMILESO=C(O)C(c1cccc2c1OCC2)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C19H26N2O3/c22-19(23)17(16-5-3-4-14-8-13-24-18(14)16)21-11-6-15(7-12-21)20-9-1-2-10-20/h3-5,15,17H,1-2,6-13H2,(H,22,23)
InChIKeyCRJQDEPRJMLBOU-UHFFFAOYSA-N
XLogP2.31
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid (CID 72839849) is 2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid is O=C(O)C(c1cccc2c1OCC2)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid?
The InChIKey is CRJQDEPRJMLBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-19(23)17(16-5-3-4-14-8-13-24-18(14)16)21-11-6-15(7-12-21)20-9-1-2-10-20/h3-5,15,17H,1-2,6-13H2,(H,22,23).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid?
2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid has a molecular weight of 330.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 72839849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).