4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid

C25H35F3N2O4 — CID 167877196

IUPAC4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid
SMILESCC1(C)CC(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC(C)(C)N1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H34N2O2.C2HF3O2/c1-22(2)14-19(15-23(3,4)25-22)24-21(27)12-11-20(26)18-10-9-16-7-5-6-8-17(16)13-18;3-2(4,5)1(6)7/h9-10,13,19,25H,5-8,11-12,14-15H2,1-4H3,(H,24,27);(H,6,7)
InChIKeyKQAJOIFBQSYAIP-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.59
Rot. Bonds5

About 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid

4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid (PubChem CID 167877196) has the molecular formula C25H35F3N2O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid
PubChem CID167877196
Molecular FormulaC25H35F3N2O4
Molecular Weight484.56 g/mol
Exact Mass484.25
IUPAC Name4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid
SMILESCC1(C)CC(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC(C)(C)N1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H34N2O2.C2HF3O2/c1-22(2)14-19(15-23(3,4)25-22)24-21(27)12-11-20(26)18-10-9-16-7-5-6-8-17(16)13-18;3-2(4,5)1(6)7/h9-10,13,19,25H,5-8,11-12,14-15H2,1-4H3,(H,24,27);(H,6,7)
InChIKeyKQAJOIFBQSYAIP-UHFFFAOYSA-N
XLogP4.59
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-piperidin-4-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119390143
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119455927
N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108450
N-(cyclohexylmethyl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide;2,2,2-trifluoroacetic acid
CID 21108451
2-(2,3-dihydro-1-benzofuran-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 71709657
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
2-[[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]methyl]-2-ethylbutanoic acid
CID 120688866
N-[(4-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9393455
1-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]cyclopropane-1-carboxylic acid
CID 120688386
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate
CID 108807177
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 112804072

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid (CID 167877196) is 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid is CC1(C)CC(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC(C)(C)N1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid?
The InChIKey is KQAJOIFBQSYAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2.C2HF3O2/c1-22(2)14-19(15-23(3,4)25-22)24-21(27)12-11-20(26)18-10-9-16-7-5-6-8-17(16)13-18;3-2(4,5)1(6)7/h9-10,13,19,25H,5-8,11-12,14-15H2,1-4H3,(H,24,27);(H,6,7).
What are the key properties of 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid?
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid has a molecular weight of 484.56 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167877196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).