2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide

C12H23N3O4 — CID 114681481

IUPAC2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCC(O)C(C)C1
InChIInChI=1S/C12H23N3O4/c1-9-7-15(5-3-10(9)16)8-11(17)14-12(18)13-4-6-19-2/h9-10,16H,3-8H2,1-2H3,(H2,13,14,17,18)
InChIKeyBYSHQIMQFHKKJS-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.84
Rot. Bonds5

About 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide

2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 114681481) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID114681481
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCC(O)C(C)C1
InChIInChI=1S/C12H23N3O4/c1-9-7-15(5-3-10(9)16)8-11(17)14-12(18)13-4-6-19-2/h9-10,16H,3-8H2,1-2H3,(H2,13,14,17,18)
InChIKeyBYSHQIMQFHKKJS-UHFFFAOYSA-N
XLogP-0.84
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.84
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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Related Compounds

N-(2-methoxyethylcarbamoyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170639
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 112628478
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 81491193
N-(2-aminoethyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114678035
N-(ethylcarbamoyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898104
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
N-cyclopropyl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114502743
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 114502335
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 30640890
2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 103898599

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide (CID 114681481) is 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN1CCC(O)C(C)C1.
What is the InChIKey of 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is BYSHQIMQFHKKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-9-7-15(5-3-10(9)16)8-11(17)14-12(18)13-4-6-19-2/h9-10,16H,3-8H2,1-2H3,(H2,13,14,17,18).
What are the key properties of 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 273.33 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 114681481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).