4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid

C11H17F3N2O4 — CID 87801073

IUPAC4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
SMILESCOCCN(C(=O)C(F)(F)F)C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H17F3N2O4/c1-20-7-6-16(9(17)11(12,13)14)8-2-4-15(5-3-8)10(18)19/h8H,2-7H2,1H3,(H,18,19)
InChIKeyRKIWERLGADGGJI-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.17
Rot. Bonds4

About 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid

4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid (PubChem CID 87801073) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
PubChem CID87801073
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
SMILESCOCCN(C(=O)C(F)(F)F)C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H17F3N2O4/c1-20-7-6-16(9(17)11(12,13)14)8-2-4-15(5-3-8)10(18)19/h8H,2-7H2,1H3,(H,18,19)
InChIKeyRKIWERLGADGGJI-UHFFFAOYSA-N
XLogP1.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-acetyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494008
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494009
4-[2-Methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 69372383
Butyl 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 89708490
4-[Methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 126511698
4-[2-Methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 126511754
Ethyl 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 140430476
(3S)-3-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 146572178
3-[1-(2,2-Difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 3669232
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 64591491
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate
CID 65173882
3-[1-(2,2-Difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 74227553

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid (CID 87801073) is 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid is COCCN(C(=O)C(F)(F)F)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The InChIKey is RKIWERLGADGGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-20-7-6-16(9(17)11(12,13)14)8-2-4-15(5-3-8)10(18)19/h8H,2-7H2,1H3,(H,18,19).
What are the key properties of 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 87801073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).