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

C12H17F5N2O3 — CID 155407897

IUPAC[2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCC(F)(F)CN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H17F5N2O3/c1-11(13,14)7-19(8-2-4-18-5-3-8)9(20)6-22-10(21)12(15,16)17/h8,18H,2-7H2,1H3
InChIKeyAYDYCPQTAUUUKG-UHFFFAOYSA-N
MW332.27 g/mol
LogP1.33
Rot. Bonds5

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

[2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 155407897) has the molecular formula C12H17F5N2O3 and a molecular weight of 332.27 g/mol. Its IUPAC name is [2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID155407897
Molecular FormulaC12H17F5N2O3
Molecular Weight332.27 g/mol
Exact Mass332.12
IUPAC Name[2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCC(F)(F)CN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H17F5N2O3/c1-11(13,14)7-19(8-2-4-18-5-3-8)9(20)6-22-10(21)12(15,16)17/h8,18H,2-7H2,1H3
InChIKeyAYDYCPQTAUUUKG-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129260872
[2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate
CID 129260935
3-Ethyl-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperazine
CID 56748804
[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-[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

Frequently Asked Questions

What is the IUPAC name of [2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate (CID 155407897) is [2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate is CC(F)(F)CN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1.
What is the InChIKey of [2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is AYDYCPQTAUUUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F5N2O3/c1-11(13,14)7-19(8-2-4-18-5-3-8)9(20)6-22-10(21)12(15,16)17/h8,18H,2-7H2,1H3.
What are the key properties of [2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 332.27 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,2-difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 155407897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).