1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one

C12H19F3N2O2 — CID 55010508

IUPAC1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one
SMILESCCCN(CC(=O)N1CCC(=O)CC1)CC(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-2-5-16(9-12(13,14)15)8-11(19)17-6-3-10(18)4-7-17/h2-9H2,1H3
InChIKeyMGBAPIOQGNOPKA-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.45
Rot. Bonds5

About 1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one

1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one (PubChem CID 55010508) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one
PubChem CID55010508
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one
SMILESCCCN(CC(=O)N1CCC(=O)CC1)CC(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-2-5-16(9-12(13,14)15)8-11(19)17-6-3-10(18)4-7-17/h2-9H2,1H3
InChIKeyMGBAPIOQGNOPKA-UHFFFAOYSA-N
XLogP1.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one (CID 55010508) is 1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one is CCCN(CC(=O)N1CCC(=O)CC1)CC(F)(F)F.
What is the InChIKey of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one?
The InChIKey is MGBAPIOQGNOPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-2-5-16(9-12(13,14)15)8-11(19)17-6-3-10(18)4-7-17/h2-9H2,1H3.
What are the key properties of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one?
1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one has a molecular weight of 280.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one is sourced from PubChem (CID 55010508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).