ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate

C11H17F3N2O3 — CID 60650203

IUPACethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-19-9(17)6-15-10(18)16-5-3-4-8(7-16)11(12,13)14/h8H,2-7H2,1H3,(H,15,18)
InChIKeyIIJRSHJZAFOFEK-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.53
Rot. Bonds3

About ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate

ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate (PubChem CID 60650203) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate
PubChem CID60650203
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Nameethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-19-9(17)6-15-10(18)16-5-3-4-8(7-16)11(12,13)14/h8H,2-7H2,1H3,(H,15,18)
InChIKeyIIJRSHJZAFOFEK-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pyridineacetic acid, hexahydro-alpha-[(3-methyl-1-oxobutyl)amino]-alpha-(trifluoromethyl)-, ethyl ester
CID 4278960
ethyl (2R)-2-acetamido-3,3,3-trifluoro-2-piperidin-1-ium-1-ylpropanoate
CID 7037310
ethyl (2S)-2-acetamido-3,3,3-trifluoro-2-piperidin-1-ium-1-ylpropanoate
CID 7037312
ethyl 3,3,3-trifluoro-N-(3-methylbutanoyl)-2-(piperidin-1-yl)alaninate
CID 28464488
ethyl (2S)-3,3,3-trifluoro-2-(3-methylbutanoylamino)-2-piperidin-1-ylpropanoate
CID 28464489
N-(2-methoxyethylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801617
Ethyl 2-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate
CID 65530473
2-[[3-(Trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid
CID 65531363
2-[[3-(Methylaminomethyl)piperidine-1-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263703
2-[(1-Methylpiperidin-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264415
2-[(1-Methylpiperidin-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264416
2-[2-Methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid
CID 79272734

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate (CID 60650203) is ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate?
The InChIKey is IIJRSHJZAFOFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-19-9(17)6-15-10(18)16-5-3-4-8(7-16)11(12,13)14/h8H,2-7H2,1H3,(H,15,18).
What are the key properties of ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate has a molecular weight of 282.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 60650203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).