1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide

C11H18F3N3O2 — CID 60501780

IUPAC1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCCCC1C(N)=O
InChIInChI=1S/C11H18F3N3O2/c1-16(7-11(12,13)14)9(18)6-17-5-3-2-4-8(17)10(15)19/h8H,2-7H2,1H3,(H2,15,19)
InChIKeyMCEMRFBUEPNCGS-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.35
Rot. Bonds4

About 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide

1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 60501780) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide
PubChem CID60501780
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCCCC1C(N)=O
InChIInChI=1S/C11H18F3N3O2/c1-16(7-11(12,13)14)9(18)6-17-5-3-2-4-8(17)10(15)19/h8H,2-7H2,1H3,(H2,15,19)
InChIKeyMCEMRFBUEPNCGS-UHFFFAOYSA-N
XLogP0.35
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide (CID 60501780) is 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide is CN(CC(F)(F)F)C(=O)CN1CCCCC1C(N)=O.
What is the InChIKey of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is MCEMRFBUEPNCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-16(7-11(12,13)14)9(18)6-17-5-3-2-4-8(17)10(15)19/h8H,2-7H2,1H3,(H2,15,19).
What are the key properties of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide?
1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 60501780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).