1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide

C13H22F3N3O2 — CID 60501947

IUPAC1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CN1CCCCC1C(N)=O
InChIInChI=1S/C13H22F3N3O2/c1-9(2)19(8-13(14,15)16)11(20)7-18-6-4-3-5-10(18)12(17)21/h9-10H,3-8H2,1-2H3,(H2,17,21)
InChIKeyIZYIDEMTBVVSSK-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.13
Rot. Bonds5

About 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide

1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide (PubChem CID 60501947) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide
PubChem CID60501947
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC Name1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CN1CCCCC1C(N)=O
InChIInChI=1S/C13H22F3N3O2/c1-9(2)19(8-13(14,15)16)11(20)7-18-6-4-3-5-10(18)12(17)21/h9-10H,3-8H2,1-2H3,(H2,17,21)
InChIKeyIZYIDEMTBVVSSK-UHFFFAOYSA-N
XLogP1.13
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide (CID 60501947) is 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide is CC(C)N(CC(F)(F)F)C(=O)CN1CCCCC1C(N)=O.
What is the InChIKey of 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide?
The InChIKey is IZYIDEMTBVVSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-9(2)19(8-13(14,15)16)11(20)7-18-6-4-3-5-10(18)12(17)21/h9-10H,3-8H2,1-2H3,(H2,17,21).
What are the key properties of 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide?
1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 60501947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).