N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide

C12H20F3N3O3 — CID 46801617

IUPACN-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O3/c1-21-6-4-16-11(20)17-10(19)8-18-5-2-3-9(7-18)12(13,14)15/h9H,2-8H2,1H3,(H2,16,17,19,20)
InChIKeyHHNGRIZNCDUAGG-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.73
Rot. Bonds5

About N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide

N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 46801617) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID46801617
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC NameN-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O3/c1-21-6-4-16-11(20)17-10(19)8-18-5-2-3-9(7-18)12(13,14)15/h9H,2-8H2,1H3,(H2,16,17,19,20)
InChIKeyHHNGRIZNCDUAGG-UHFFFAOYSA-N
XLogP0.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide (CID 46801617) is N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide is COCCNC(=O)NC(=O)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is HHNGRIZNCDUAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-21-6-4-16-11(20)17-10(19)8-18-5-2-3-9(7-18)12(13,14)15/h9H,2-8H2,1H3,(H2,16,17,19,20).
What are the key properties of N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 311.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 46801617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).