2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide

C15H19F3N2O — CID 20598070

IUPAC2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide
SMILESCN1CCCC(CN(C(=O)C(F)(F)F)c2ccccc2)C1
InChIInChI=1S/C15H19F3N2O/c1-19-9-5-6-12(10-19)11-20(14(21)15(16,17)18)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyQSVYAUDWHXAAQV-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.92
Rot. Bonds3

About 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide

2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide (PubChem CID 20598070) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide
PubChem CID20598070
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide
SMILESCN1CCCC(CN(C(=O)C(F)(F)F)c2ccccc2)C1
InChIInChI=1S/C15H19F3N2O/c1-19-9-5-6-12(10-19)11-20(14(21)15(16,17)18)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyQSVYAUDWHXAAQV-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide 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

(E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide
CID 6435644
N-phenyl-N-[[(3R)-1-(1-phenylpropan-2-yl)piperidin-3-yl]methyl]acetamide
CID 59101548
N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline
CID 142167405
4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide
CID 141101656
N-phenyl-N-[[(3R)-1-(2-phenylpropyl)piperidin-3-yl]methyl]propanamide
CID 59101556
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide
CID 95208686
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide
CID 142167438
2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110860768
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride
CID 119946678

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide (CID 20598070) is 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide is CN1CCCC(CN(C(=O)C(F)(F)F)c2ccccc2)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide?
The InChIKey is QSVYAUDWHXAAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-19-9-5-6-12(10-19)11-20(14(21)15(16,17)18)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide?
2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide has a molecular weight of 300.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide is sourced from PubChem (CID 20598070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).