1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea

C16H22F3N3O2 — CID 51093545

IUPAC1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOCCN1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O2/c1-24-11-10-22-8-6-12(7-9-22)20-15(23)21-14-5-3-2-4-13(14)16(17,18)19/h2-5,12H,6-11H2,1H3,(H2,20,21,23)
InChIKeyOTELDYBTIPYYLR-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.94
Rot. Bonds5

About 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea

1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 51093545) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID51093545
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOCCN1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O2/c1-24-11-10-22-8-6-12(7-9-22)20-15(23)21-14-5-3-2-4-13(14)16(17,18)19/h2-5,12H,6-11H2,1H3,(H2,20,21,23)
InChIKeyOTELDYBTIPYYLR-UHFFFAOYSA-N
XLogP2.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea
CID 119048970
1-(2-tert-butylphenyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49111082
1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314248
1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 51102219
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119861342
1-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 1461381
1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 167747797
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 94800617
methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate
CID 6465197
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea (CID 51093545) is 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea is COCCN1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is OTELDYBTIPYYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-24-11-10-22-8-6-12(7-9-22)20-15(23)21-14-5-3-2-4-13(14)16(17,18)19/h2-5,12H,6-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 345.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 51093545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).