2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide

C14H21F3N2O3 — CID 108933083

IUPAC2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCOCC1)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)18-11-1-5-19(6-2-11)12(20)9-10-3-7-22-8-4-10/h10-11H,1-9H2,(H,18,21)
InChIKeyHEMAOBNGJOIPGL-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.47
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide

2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide (PubChem CID 108933083) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide
PubChem CID108933083
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCOCC1)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)18-11-1-5-19(6-2-11)12(20)9-10-3-7-22-8-4-10/h10-11H,1-9H2,(H,18,21)
InChIKeyHEMAOBNGJOIPGL-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
CID 71979287
N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide
CID 154671310
N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide
CID 166466836
N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylbutanamide;molecular hydrogen
CID 166466859
N-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
CID 166466896
1-[4-[[3-(Trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone
CID 173123238
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 43603384
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide
CID 62759955
2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71983917
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide
CID 71983937
2-Amino-5-methoxy-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 81102208
N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide
CID 82811551

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide (CID 108933083) is 2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide is O=C(CC1CCOCC1)N1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide?
The InChIKey is HEMAOBNGJOIPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)18-11-1-5-19(6-2-11)12(20)9-10-3-7-22-8-4-10/h10-11H,1-9H2,(H,18,21).
What are the key properties of 2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide?
2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide has a molecular weight of 322.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108933083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).