N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide

C9H15F3N2O — CID 126774083

IUPACN-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-7(15)13-8-3-2-4-14(5-8)6-9(10,11)12/h8H,2-6H2,1H3,(H,13,15)
InChIKeyGMZTUCUSKMMZMN-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.15
Rot. Bonds2

About N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide

N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide (PubChem CID 126774083) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
PubChem CID126774083
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-7(15)13-8-3-2-4-14(5-8)6-9(10,11)12/h8H,2-6H2,1H3,(H,13,15)
InChIKeyGMZTUCUSKMMZMN-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 163345445
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60606505
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 125145226
N-[1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)pyrrolidin-3-yl]acetamide
CID 113402653
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
1-cyclohexyl-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110957530
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-cyclohexyl-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110957529
N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide
CID 58182173

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide (CID 126774083) is N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide?
The InChIKey is GMZTUCUSKMMZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-7(15)13-8-3-2-4-14(5-8)6-9(10,11)12/h8H,2-6H2,1H3,(H,13,15).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide?
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 126774083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).