2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide

C9H11F6N3O2 — CID 58865772

IUPAC2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide
SMILESO=C(N[C@@H]1CNC[C@H](NC(=O)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C9H11F6N3O2/c10-8(11,12)6(19)17-4-1-5(3-16-2-4)18-7(20)9(13,14)15/h4-5,16H,1-3H2,(H,17,19)(H,18,20)/t4-,5+
InChIKeyJZPYHAVLZALGCY-SYDPRGILSA-N
MW307.19 g/mol
LogP0.07
Rot. Bonds2

About 2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide

2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide (PubChem CID 58865772) has the molecular formula C9H11F6N3O2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide
PubChem CID58865772
Molecular FormulaC9H11F6N3O2
Molecular Weight307.19 g/mol
Exact Mass307.08
IUPAC Name2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide
SMILESO=C(N[C@@H]1CNC[C@H](NC(=O)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C9H11F6N3O2/c10-8(11,12)6(19)17-4-1-5(3-16-2-4)18-7(20)9(13,14)15/h4-5,16H,1-3H2,(H,17,19)(H,18,20)/t4-,5+
InChIKeyJZPYHAVLZALGCY-SYDPRGILSA-N
XLogP0.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide with MolForge

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Related Compounds

(1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide)
CID 3847323
2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
CID 122702900
1-[(3R)-3-Aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 102978512
2,2,2-trifluoro-N-(piperidin-4-yl)acetamide
CID 10774253
Acetamide, 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-
CID 6421687
N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 62732802
2,2,2-trifluoro-N-(piperidin-4-yl)acetamide; trifluoroacetic acid
CID 14774639
3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide hydrochloride
CID 119033621
rac-2,2,2-trifluoro-N-((3R,4R)-4-methylpiperidin-3-yl)acetamide
CID 124251655
N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(piperidin-3-yl)acetamide
CID 137963851
racemic CF4
CID 14870186
(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one
CID 129462915

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide (CID 58865772) is 2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide is O=C(N[C@@H]1CNC[C@H](NC(=O)C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide?
The InChIKey is JZPYHAVLZALGCY-SYDPRGILSA-N. The full InChI is InChI=1S/C9H11F6N3O2/c10-8(11,12)6(19)17-4-1-5(3-16-2-4)18-7(20)9(13,14)15/h4-5,16H,1-3H2,(H,17,19)(H,18,20)/t4-,5+.
What are the key properties of 2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide?
2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide has a molecular weight of 307.19 g/mol, XLogP of 0.07, 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-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide is sourced from PubChem (CID 58865772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).