N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H19F3N2O2 — CID 103206901

IUPACN-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(NC(=O)COCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H19F3N2O2/c1-8(9-2-4-15-5-3-9)16-10(17)6-18-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyBIZAEXBYTCRCPC-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.07
Rot. Bonds5

About N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103206901) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103206901
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(NC(=O)COCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H19F3N2O2/c1-8(9-2-4-15-5-3-9)16-10(17)6-18-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyBIZAEXBYTCRCPC-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate
CID 129260935
2-ethoxy-N-((1-isopropylpiperidin-4-yl)methyl)acetamide
CID 45558399
[2-oxo-2-[[(3S)-piperidin-3-yl]methylamino]ethyl] 2,2,2-trifluoroacetate
CID 68471173
[2-[Methyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68475368
[2-[Methyl(piperidin-4-ylmethyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68476074
N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide
CID 70952578
N-[(1R)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide
CID 70954255
[2-Oxo-2-(piperidin-3-ylmethylamino)ethyl] 2,2,2-trifluoroacetate
CID 77503681
[1-Oxo-1-(piperidin-4-ylmethylamino)propan-2-yl] 2,2,2-trifluoroacetate
CID 90879080
2,2-Difluoro-5,6-di(propan-2-yl)morpholin-3-one
CID 123225313
1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
CID 126759836
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129256140

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103206901) is N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(NC(=O)COCC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is BIZAEXBYTCRCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(9-2-4-15-5-3-9)16-10(17)6-18-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103206901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).