2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide

C11H21N3O4 — CID 27070018

IUPAC2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCC(O)CC1
InChIInChI=1S/C11H21N3O4/c1-18-7-4-12-11(17)13-10(16)8-14-5-2-9(15)3-6-14/h9,15H,2-8H2,1H3,(H2,12,13,16,17)
InChIKeyKJENIHQQMLTGTH-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.08
Rot. Bonds5

About 2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide

2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 27070018) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID27070018
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCC(O)CC1
InChIInChI=1S/C11H21N3O4/c1-18-7-4-12-11(17)13-10(16)8-14-5-2-9(15)3-6-14/h9,15H,2-8H2,1H3,(H2,12,13,16,17)
InChIKeyKJENIHQQMLTGTH-UHFFFAOYSA-N
XLogP-1.08
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide (CID 27070018) is 2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is KJENIHQQMLTGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-18-7-4-12-11(17)13-10(16)8-14-5-2-9(15)3-6-14/h9,15H,2-8H2,1H3,(H2,12,13,16,17).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 27070018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).