N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide

C15H23F3N2O3 — CID 167780963

IUPACN-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
SMILESCC(=O)N1CC(NC(=O)CC2CCOCC2)CCC1C(F)(F)F
InChIInChI=1S/C15H23F3N2O3/c1-10(21)20-9-12(2-3-13(20)15(16,17)18)19-14(22)8-11-4-6-23-7-5-11/h11-13H,2-9H2,1H3,(H,19,22)
InChIKeyRDKSQXUCORWACX-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.86
Rot. Bonds3

About N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide

N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide (PubChem CID 167780963) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
PubChem CID167780963
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC NameN-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
SMILESCC(=O)N1CC(NC(=O)CC2CCOCC2)CCC1C(F)(F)F
InChIInChI=1S/C15H23F3N2O3/c1-10(21)20-9-12(2-3-13(20)15(16,17)18)19-14(22)8-11-4-6-23-7-5-11/h11-13H,2-9H2,1H3,(H,19,22)
InChIKeyRDKSQXUCORWACX-UHFFFAOYSA-N
XLogP1.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
N-[1-(pyridine-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989570
N-(2-amino-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 110834377
N-[(3R,6S)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491793
2-(oxan-4-yl)-N-(2,2,5-trimethyl-4-oxohex-5-en-3-yl)acetamide
CID 145466143
N-[(4aS,8R,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide;2,2,2-trifluoroacetic acid
CID 155849020
4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524479
N-cycloheptyl-2-(oxan-4-ylmethylamino)acetamide
CID 63725638
N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 165431842
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 103162228
N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 106291923
N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345714

Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide (CID 167780963) is N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide is CC(=O)N1CC(NC(=O)CC2CCOCC2)CCC1C(F)(F)F.
What is the InChIKey of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide?
The InChIKey is RDKSQXUCORWACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-10(21)20-9-12(2-3-13(20)15(16,17)18)19-14(22)8-11-4-6-23-7-5-11/h11-13H,2-9H2,1H3,(H,19,22).
What are the key properties of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide?
N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide has a molecular weight of 336.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 167780963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).