N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

C17H30F3N3O3 — CID 87571266

IUPACN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCC1(C)CC(NC(=O)CCCCCNC(=O)C(F)(F)F)CC(C)(C)N1O
InChIInChI=1S/C17H30F3N3O3/c1-15(2)10-12(11-16(3,4)23(15)26)22-13(24)8-6-5-7-9-21-14(25)17(18,19)20/h12,26H,5-11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyFZEKPXIRXKUNDS-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.75
Rot. Bonds7

About N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (PubChem CID 87571266) has the molecular formula C17H30F3N3O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
PubChem CID87571266
Molecular FormulaC17H30F3N3O3
Molecular Weight381.44 g/mol
Exact Mass381.22
IUPAC NameN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCC1(C)CC(NC(=O)CCCCCNC(=O)C(F)(F)F)CC(C)(C)N1O
InChIInChI=1S/C17H30F3N3O3/c1-15(2)10-12(11-16(3,4)23(15)26)22-13(24)8-6-5-7-9-21-14(25)17(18,19)20/h12,26H,5-11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyFZEKPXIRXKUNDS-UHFFFAOYSA-N
XLogP2.75
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 579904
2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 587902
N-(2,2,6,6-tetramethyl-1-oxyl-4-piperidinyl)dodecaneamide
CID 20590971
N-(1-Oxyl-2,2,6,6-tetramethylpiperidin-4-yl)octanamide
CID 21480880
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropanamide
CID 58178690
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 134965940
2,2,2-Trifluoro-N-[2-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)-ethyl]-acetamide
CID 624552
methanol;N-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-7-[(2,2,2-trifluoroacetyl)amino]heptanamide
CID 143769110
CID 102134407
CID 102134407
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropanamide hydrochloride
CID 156024578
CID 11532467
CID 11532467
N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 84362565

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The IUPAC name of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (CID 87571266) is N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.
What is the SMILES notation for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The canonical SMILES for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is CC1(C)CC(NC(=O)CCCCCNC(=O)C(F)(F)F)CC(C)(C)N1O.
What is the InChIKey of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The InChIKey is FZEKPXIRXKUNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N3O3/c1-15(2)10-12(11-16(3,4)23(15)26)22-13(24)8-6-5-7-9-21-14(25)17(18,19)20/h12,26H,5-11H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide has a molecular weight of 381.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is sourced from PubChem (CID 87571266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).