methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate

C11H15F3N2O5 — CID 175096192

IUPACmethyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(OC(C)=O)CC1NC(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O5/c1-6(17)21-16-4-3-7(9(18)20-2)8(5-16)15-10(19)11(12,13)14/h7-8H,3-5H2,1-2H3,(H,15,19)
InChIKeyWBRLHXDRJNCASA-UHFFFAOYSA-N
MW312.24 g/mol
LogP0.01
Rot. Bonds3

About methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate

methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate (PubChem CID 175096192) has the molecular formula C11H15F3N2O5 and a molecular weight of 312.24 g/mol. Its IUPAC name is methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate
PubChem CID175096192
Molecular FormulaC11H15F3N2O5
Molecular Weight312.24 g/mol
Exact Mass312.09
IUPAC Namemethyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(OC(C)=O)CC1NC(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O5/c1-6(17)21-16-4-3-7(9(18)20-2)8(5-16)15-10(19)11(12,13)14/h7-8H,3-5H2,1-2H3,(H,15,19)
InChIKeyWBRLHXDRJNCASA-UHFFFAOYSA-N
XLogP0.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate?
The IUPAC name of methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate (CID 175096192) is methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate is COC(=O)C1CCN(OC(C)=O)CC1NC(=O)C(F)(F)F.
What is the InChIKey of methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate?
The InChIKey is WBRLHXDRJNCASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O5/c1-6(17)21-16-4-3-7(9(18)20-2)8(5-16)15-10(19)11(12,13)14/h7-8H,3-5H2,1-2H3,(H,15,19).
What are the key properties of methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate?
methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate has a molecular weight of 312.24 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetyloxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylate is sourced from PubChem (CID 175096192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).