2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide

C17H21F3N2O4 — CID 108558717

IUPAC2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(C(=O)C(F)(F)F)CC2)cc1OC
InChIInChI=1S/C17H21F3N2O4/c1-25-13-4-3-11(9-14(13)26-2)10-15(23)21-12-5-7-22(8-6-12)16(24)17(18,19)20/h3-4,9,12H,5-8,10H2,1-2H3,(H,21,23)
InChIKeyCMSIMYLTFOFXJF-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.92
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide (PubChem CID 108558717) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
PubChem CID108558717
Molecular FormulaC17H21F3N2O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(C(=O)C(F)(F)F)CC2)cc1OC
InChIInChI=1S/C17H21F3N2O4/c1-25-13-4-3-11(9-14(13)26-2)10-15(23)21-12-5-7-22(8-6-12)16(24)17(18,19)20/h3-4,9,12H,5-8,10H2,1-2H3,(H,21,23)
InChIKeyCMSIMYLTFOFXJF-UHFFFAOYSA-N
XLogP1.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide 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

N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548772
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55691105
2-chloroethyl 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]piperidine-1-carboxylate
CID 108563121
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108558731
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
CID 108558758
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558608
2-(3,4-dimethoxyphenyl)-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]acetamide
CID 108558753
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide (CID 108558717) is 2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide is COc1ccc(CC(=O)NC2CCN(C(=O)C(F)(F)F)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?
The InChIKey is CMSIMYLTFOFXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O4/c1-25-13-4-3-11(9-14(13)26-2)10-15(23)21-12-5-7-22(8-6-12)16(24)17(18,19)20/h3-4,9,12H,5-8,10H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide has a molecular weight of 374.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108558717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).