[2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate

C14H23F3N2O3 — CID 155130927

IUPAC[2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCC(C)(C)CN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C14H23F3N2O3/c1-13(2,3)9-19(10-4-6-18-7-5-10)11(20)8-22-12(21)14(15,16)17/h10,18H,4-9H2,1-3H3
InChIKeyXNMWJRNPPQJMEH-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.72
Rot. Bonds4

About [2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate

[2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 155130927) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is [2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID155130927
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Name[2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCC(C)(C)CN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C14H23F3N2O3/c1-13(2,3)9-19(10-4-6-18-7-5-10)11(20)8-22-12(21)14(15,16)17/h10,18H,4-9H2,1-3H3
InChIKeyXNMWJRNPPQJMEH-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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-ylamino)propan-2-yl] 2,2,2-trifluoroacetate
CID 90986997
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129256140
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
CID 129256141
[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

Frequently Asked Questions

What is the IUPAC name of [2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate (CID 155130927) is [2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate is CC(C)(C)CN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1.
What is the InChIKey of [2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is XNMWJRNPPQJMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-13(2,3)9-19(10-4-6-18-7-5-10)11(20)8-22-12(21)14(15,16)17/h10,18H,4-9H2,1-3H3.
What are the key properties of [2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 324.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,2-dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 155130927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).