2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide

C15H23F3N2O3 — CID 108932944

IUPAC2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1CCOCC1)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c16-15(17,18)14(22)19-10-12-1-5-20(6-2-12)13(21)9-11-3-7-23-8-4-11/h11-12H,1-10H2,(H,19,22)
InChIKeySYEINCIAAWEHJE-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.72
Rot. Bonds4

About 2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide (PubChem CID 108932944) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide
PubChem CID108932944
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1CCOCC1)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c16-15(17,18)14(22)19-10-12-1-5-20(6-2-12)13(21)9-11-3-7-23-8-4-11/h11-12H,1-10H2,(H,19,22)
InChIKeySYEINCIAAWEHJE-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-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

Related Compounds

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
CID 71979287
(3S)-N-[[1-(cyanomethyl)piperidin-4-yl]methyl]oxane-3-carboxamide
CID 96526066
ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide
CID 169194184
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 43603384
N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 61030194
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide
CID 62759955
2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71983917
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide
CID 71983937
(3S)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide
CID 97586698
(3R)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide
CID 97586699
(3S)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
CID 97591430
(3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
CID 97591432

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide (CID 108932944) is 2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide is O=C(CC1CCOCC1)N1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is SYEINCIAAWEHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c16-15(17,18)14(22)19-10-12-1-5-20(6-2-12)13(21)9-11-3-7-23-8-4-11/h11-12H,1-10H2,(H,19,22).
What are the key properties of 2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 336.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108932944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).