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

C13H19F6N3O2 — CID 1114902

IUPAC2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-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)N1
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)/t6-,7+/m1/s1
InChIKeyCENWDAKHRRVLAG-RQJHMYQMSA-N
MW363.30 g/mol
LogP1.63
Rot. Bonds2

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

2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]acetamide (PubChem CID 1114902) has the molecular formula C13H19F6N3O2 and a molecular weight of 363.30 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-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-4-yl]acetamide
PubChem CID1114902
Molecular FormulaC13H19F6N3O2
Molecular Weight363.30 g/mol
Exact Mass363.14
IUPAC Name2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-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)N1
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)/t6-,7+/m1/s1
InChIKeyCENWDAKHRRVLAG-RQJHMYQMSA-N
XLogP1.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-1-ium-4-yl]acetamide
CID 6968358
2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide
CID 162581118
tert-butyl N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamate
CID 139549238
2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide
CID 132568112
2,2,2-trifluoro-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 130773345
2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
CID 130816451
1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
CID 164869646
2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide
CID 97305493
methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 118104467
2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide
CID 1014515
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896
2,2-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 59345639

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-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-4-yl]acetamide (CID 1114902) is 2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-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-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-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)N1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]acetamide?
The InChIKey is CENWDAKHRRVLAG-RQJHMYQMSA-N. 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)/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-4-yl]acetamide?
2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]acetamide has a molecular weight of 363.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 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-4-yl]acetamide is sourced from PubChem (CID 1114902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).