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

C11H20F3N3O — CID 63762298

IUPAC2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCC1CCCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)8-16-10(18)7-17-5-1-2-9(6-17)3-4-15/h9H,1-8,15H2,(H,16,18)
InChIKeyHPNPPTXEPFFVFR-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.73
Rot. Bonds5

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

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63762298) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63762298
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCC1CCCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)8-16-10(18)7-17-5-1-2-9(6-17)3-4-15/h9H,1-8,15H2,(H,16,18)
InChIKeyHPNPPTXEPFFVFR-UHFFFAOYSA-N
XLogP0.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N1-((1-cyclopentylpiperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49751134
4-[2-[Cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one
CID 71861818
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 71985645
2,2,2-Trifluoro-N-(piperidin-4-ylmethyl)acetamide
CID 17998885
1-{1,4-Diazaspiro[5.5]undecan-1-yl}-2,2,2-trifluoroethan-1-one hydrochloride
CID 122156993
N1-((1-methylpiperidin-4-yl)methyl)-N2-propyloxalamide
CID 16886495
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide
CID 29439803
N-propyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 45798041
Methyl 4-((2-oxo-2-((2,2,2-trifluoroethyl)amino)acetamido)methyl)piperidine-1-carboxylate
CID 49754869
2-[1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]acetamide
CID 53522452
2-[3-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53580280
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 56788082

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 63762298) is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCCC1CCCN(CC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HPNPPTXEPFFVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c12-11(13,14)8-16-10(18)7-17-5-1-2-9(6-17)3-4-15/h9H,1-8,15H2,(H,16,18).
What are the key properties of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63762298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).