1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one

C11H15F3N2O2 — CID 67034642

IUPAC1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one
SMILESO=C1NCCCC1N1CCCC(C(F)(F)F)C1=O
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)7-3-2-6-16(10(7)18)8-4-1-5-15-9(8)17/h7-8H,1-6H2,(H,15,17)
InChIKeyZQTNSTAGXOFDDZ-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.07
Rot. Bonds1

About 1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one

1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one (PubChem CID 67034642) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one
PubChem CID67034642
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one
SMILESO=C1NCCCC1N1CCCC(C(F)(F)F)C1=O
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)7-3-2-6-16(10(7)18)8-4-1-5-15-9(8)17/h7-8H,1-6H2,(H,15,17)
InChIKeyZQTNSTAGXOFDDZ-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1'-(cyclopropylcarbonyl)-N-(2,2,2-trifluoroethyl)-1,4'-bipiperidine-3-carboxamide
CID 45203001
N-propyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 45798041
2-[1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]acetamide
CID 53522452
Piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 54936761
3-(Piperazin-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75450947
(3S)-1-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96086222
(3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 97015840
Propanamide, N-[3-(difluoromethyl)-2-oxo-3-piperidyl]-2,2,3,3,3-pentafluoro-
CID 533937
Butanamide, N-[3-(difluoromethyl)-2-oxo-3-piperidyl], heptafluoro-
CID 549839
2-[2-Oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide
CID 9943251
2-[2-Oxo-5-(3,3,3-trifluoroprop-1-ynyl)piperidin-1-yl]butanamide
CID 9965395
2-[2-Oxo-4-(3,3,3-trifluoropropyl)piperidin-1-yl]butanamide
CID 9965499

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one?
The IUPAC name of 1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one (CID 67034642) is 1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one.
What is the SMILES notation for 1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one?
The canonical SMILES for 1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one is O=C1NCCCC1N1CCCC(C(F)(F)F)C1=O.
What is the InChIKey of 1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one?
The InChIKey is ZQTNSTAGXOFDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)7-3-2-6-16(10(7)18)8-4-1-5-15-9(8)17/h7-8H,1-6H2,(H,15,17).
What are the key properties of 1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one?
1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one has a molecular weight of 264.25 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one is sourced from PubChem (CID 67034642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).