1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid

C18H23NO4 — CID 166268022

IUPAC1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid
SMILESCOCCC1(C(=O)O)CCN(Cc2ccc3occc3c2)CC1
InChIInChI=1S/C18H23NO4/c1-22-11-7-18(17(20)21)5-8-19(9-6-18)13-14-2-3-16-15(12-14)4-10-23-16/h2-4,10,12H,5-9,11,13H2,1H3,(H,20,21)
InChIKeyOCQWDLPRNWGWTI-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.14
Rot. Bonds6

About 1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid

1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid (PubChem CID 166268022) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid
PubChem CID166268022
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid
SMILESCOCCC1(C(=O)O)CCN(Cc2ccc3occc3c2)CC1
InChIInChI=1S/C18H23NO4/c1-22-11-7-18(17(20)21)5-8-19(9-6-18)13-14-2-3-16-15(12-14)4-10-23-16/h2-4,10,12H,5-9,11,13H2,1H3,(H,20,21)
InChIKeyOCQWDLPRNWGWTI-UHFFFAOYSA-N
XLogP3.14
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid (CID 166268022) is 1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid is COCCC1(C(=O)O)CCN(Cc2ccc3occc3c2)CC1.
What is the InChIKey of 1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid?
The InChIKey is OCQWDLPRNWGWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-22-11-7-18(17(20)21)5-8-19(9-6-18)13-14-2-3-16-15(12-14)4-10-23-16/h2-4,10,12H,5-9,11,13H2,1H3,(H,20,21).
What are the key properties of 1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid?
1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid has a molecular weight of 317.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 166268022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).