1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C11H19F3N2O2 — CID 71988718

IUPAC1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCOCCN1CCCC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-18-6-5-16-4-2-3-9(7-16)10(17)15-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyASLVMIDLLVDEDE-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.02
Rot. Bonds5

About 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71988718) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71988718
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCOCCN1CCCC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-18-6-5-16-4-2-3-9(7-16)10(17)15-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyASLVMIDLLVDEDE-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71988718) is 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is COCCN1CCCC(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ASLVMIDLLVDEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-18-6-5-16-4-2-3-9(7-16)10(17)15-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71988718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).