2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide

C16H23F3N4O — CID 72939700

IUPAC2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide
SMILESCCN1CCC(CC(=O)NCc2nc(C)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H23F3N4O/c1-3-23-6-4-12(5-7-23)9-15(24)20-10-14-21-11(2)8-13(22-14)16(17,18)19/h8,12H,3-7,9-10H2,1-2H3,(H,20,24)
InChIKeyVNXHYSUCBDPKCK-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.54
Rot. Bonds5

About 2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide

2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide (PubChem CID 72939700) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide
PubChem CID72939700
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide
SMILESCCN1CCC(CC(=O)NCc2nc(C)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H23F3N4O/c1-3-23-6-4-12(5-7-23)9-15(24)20-10-14-21-11(2)8-13(22-14)16(17,18)19/h8,12H,3-7,9-10H2,1-2H3,(H,20,24)
InChIKeyVNXHYSUCBDPKCK-UHFFFAOYSA-N
XLogP2.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide (CID 72939700) is 2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide is CCN1CCC(CC(=O)NCc2nc(C)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide?
The InChIKey is VNXHYSUCBDPKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-3-23-6-4-12(5-7-23)9-15(24)20-10-14-21-11(2)8-13(22-14)16(17,18)19/h8,12H,3-7,9-10H2,1-2H3,(H,20,24).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide?
2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide has a molecular weight of 344.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide is sourced from PubChem (CID 72939700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).