[1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate

C10H15F3N2O3 — CID 90986997

IUPAC[1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate
SMILESCC(OC(=O)C(F)(F)F)C(=O)NC1CCNCC1
InChIInChI=1S/C10H15F3N2O3/c1-6(18-9(17)10(11,12)13)8(16)15-7-2-4-14-5-3-7/h6-7,14H,2-5H2,1H3,(H,15,16)
InChIKeyULKNOLCFHSDDTQ-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.35
Rot. Bonds3

About [1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate

[1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate (PubChem CID 90986997) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is [1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate
PubChem CID90986997
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name[1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate
SMILESCC(OC(=O)C(F)(F)F)C(=O)NC1CCNCC1
InChIInChI=1S/C10H15F3N2O3/c1-6(18-9(17)10(11,12)13)8(16)15-7-2-4-14-5-3-7/h6-7,14H,2-5H2,1H3,(H,15,16)
InChIKeyULKNOLCFHSDDTQ-UHFFFAOYSA-N
XLogP0.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-Aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 66819144
[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-Oxo-2-(piperidin-3-ylmethylamino)ethyl] 2,2,2-trifluoroacetate
CID 77503681
2-[(Cyclopropylamino)carbonyl]morpholin-4-ium trifluoroacetate
CID 86615828
[1-Oxo-1-(piperidin-4-ylmethylamino)propan-2-yl] 2,2,2-trifluoroacetate
CID 90879080
[2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
CID 129256191
[2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129256192
[2-[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129260872
[2-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
CID 129260875
[2-[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
CID 129260883
[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate
CID 129260934

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate (CID 90986997) is [1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate is CC(OC(=O)C(F)(F)F)C(=O)NC1CCNCC1.
What is the InChIKey of [1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is ULKNOLCFHSDDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-6(18-9(17)10(11,12)13)8(16)15-7-2-4-14-5-3-7/h6-7,14H,2-5H2,1H3,(H,15,16).
What are the key properties of [1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate?
[1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 268.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 90986997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).