3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid

C19H23NO5 — CID 97338925

IUPAC3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid
SMILESCOc1ccc2c(CC(=O)N3CCCC[C@@H]3CCC(=O)O)coc2c1
InChIInChI=1S/C19H23NO5/c1-24-15-6-7-16-13(12-25-17(16)11-15)10-18(21)20-9-3-2-4-14(20)5-8-19(22)23/h6-7,11-12,14H,2-5,8-10H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyKEJKXARZXRFIDN-CQSZACIVSA-N
MW345.39 g/mol
LogP3.23
Rot. Bonds6

About 3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid

3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid (PubChem CID 97338925) has the molecular formula C19H23NO5 and a molecular weight of 345.39 g/mol. Its IUPAC name is 3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid
PubChem CID97338925
Molecular FormulaC19H23NO5
Molecular Weight345.39 g/mol
Exact Mass345.16
IUPAC Name3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid
SMILESCOc1ccc2c(CC(=O)N3CCCC[C@@H]3CCC(=O)O)coc2c1
InChIInChI=1S/C19H23NO5/c1-24-15-6-7-16-13(12-25-17(16)11-15)10-18(21)20-9-3-2-4-14(20)5-8-19(22)23/h6-7,11-12,14H,2-5,8-10H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyKEJKXARZXRFIDN-CQSZACIVSA-N
XLogP3.23
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 94487184
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 94487182
2-(6-methyl-1-benzofuran-3-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 51504317
2-(6-methoxy-1-benzofuran-3-yl)-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95138656
3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid
CID 124686357
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 112766874
1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119107505
1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 128984784
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 119411464
3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid
CID 124683557
N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 124611637

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid (CID 97338925) is 3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid is COc1ccc2c(CC(=O)N3CCCC[C@@H]3CCC(=O)O)coc2c1.
What is the InChIKey of 3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid?
The InChIKey is KEJKXARZXRFIDN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23NO5/c1-24-15-6-7-16-13(12-25-17(16)11-15)10-18(21)20-9-3-2-4-14(20)5-8-19(22)23/h6-7,11-12,14H,2-5,8-10H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid?
3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid has a molecular weight of 345.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 97338925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).