2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide

C13H20F6N3O2+ — CID 6968358

IUPAC2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide
SMILESCC1(C)C[C@@H](NC(=O)C(F)(F)F)[C@H](NC(=O)C(F)(F)F)C(C)(C)[NH2+]1
InChIInChI=1S/C13H19F6N3O2/c1-10(2)5-6(20-8(23)12(14,15)16)7(11(3,4)22-10)21-9(24)13(17,18)19/h6-7,22H,5H2,1-4H3,(H,20,23)(H,21,24)/p+1/t6-,7+/m1/s1
InChIKeyCENWDAKHRRVLAG-RQJHMYQMSA-O
MW364.31 g/mol
LogP0.60
Rot. Bonds2

About 2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide

2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide (PubChem CID 6968358) has the molecular formula C13H20F6N3O2+ and a molecular weight of 364.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide
PubChem CID6968358
Molecular FormulaC13H20F6N3O2+
Molecular Weight364.31 g/mol
Exact Mass364.15
IUPAC Name2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide
SMILESCC1(C)C[C@@H](NC(=O)C(F)(F)F)[C@H](NC(=O)C(F)(F)F)C(C)(C)[NH2+]1
InChIInChI=1S/C13H19F6N3O2/c1-10(2)5-6(20-8(23)12(14,15)16)7(11(3,4)22-10)21-9(24)13(17,18)19/h6-7,22H,5H2,1-4H3,(H,20,23)(H,21,24)/p+1/t6-,7+/m1/s1
InChIKeyCENWDAKHRRVLAG-RQJHMYQMSA-O
XLogP0.60
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]acetamide
CID 1114902
2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide
CID 132568112
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896
2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide
CID 162581118
methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 118104467
trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 84689581
N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide
CID 64914468
2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
CID 130816451
2,2,2-trifluoro-N-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]acetamide
CID 10262559
2,2,2-trifluoro-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 130773345
N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide
CID 130971950
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 87320947

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide (CID 6968358) is 2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide is CC1(C)C[C@@H](NC(=O)C(F)(F)F)[C@H](NC(=O)C(F)(F)F)C(C)(C)[NH2+]1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide?
The InChIKey is CENWDAKHRRVLAG-RQJHMYQMSA-O. The full InChI is InChI=1S/C13H19F6N3O2/c1-10(2)5-6(20-8(23)12(14,15)16)7(11(3,4)22-10)21-9(24)13(17,18)19/h6-7,22H,5H2,1-4H3,(H,20,23)(H,21,24)/p+1/t6-,7+/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide?
2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide has a molecular weight of 364.31 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide is sourced from PubChem (CID 6968358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).