2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide

C14H21F6N3O2 — CID 18449261

IUPAC2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
SMILESCC(C)CN1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H21F6N3O2/c1-9(2)7-23-5-3-12(4-6-23,22-11(25)14(18,19)20)8-21-10(24)13(15,16)17/h9H,3-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRYSFASCWCMMFEP-UHFFFAOYSA-N
MW377.33 g/mol
LogP1.83
Rot. Bonds5

About 2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide (PubChem CID 18449261) has the molecular formula C14H21F6N3O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
PubChem CID18449261
Molecular FormulaC14H21F6N3O2
Molecular Weight377.33 g/mol
Exact Mass377.15
IUPAC Name2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
SMILESCC(C)CN1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H21F6N3O2/c1-9(2)7-23-5-3-12(4-6-23,22-11(25)14(18,19)20)8-21-10(24)13(15,16)17/h9H,3-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRYSFASCWCMMFEP-UHFFFAOYSA-N
XLogP1.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]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,N'-(2,2,6,6-tetramethylpiperidine-3,4-diyl)bis(2,2,2-trifluoroacetamide)
CID 2938703
2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
CID 122702900
N1-((1-cyclopentylpiperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49751134
rac-2,2,2-trifluoro-N-((3R,4R)-4-methylpiperidin-3-yl)acetamide
CID 124251655
N1-(tert-butyl)-N2-((1-isopropylpiperidin-4-yl)methyl)oxalamide
CID 16886630
N1-((1-(tert-butylcarbamoyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49754747
2-(4-(1,1-difluoroethyl)piperidin-1-yl)-N-methylacetamide
CID 92130809
rac-2,2,2-trifluoro-N-[(2R,3S,4S)-4-methyl-2-(trifluoromethyl)piperidin-3-yl]acetamide
CID 136589257
2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449262
4-[(2,2,2-Trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
CID 18449277
2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449279
4-(Aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 18449285

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide (CID 18449261) is 2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide is CC(C)CN1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
The InChIKey is RYSFASCWCMMFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F6N3O2/c1-9(2)7-23-5-3-12(4-6-23,22-11(25)14(18,19)20)8-21-10(24)13(15,16)17/h9H,3-8H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide has a molecular weight of 377.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 18449261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).