1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one

C13H19F3N2O2 — CID 128926278

IUPAC1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCN1CCC(C(=O)N2CCCC(C(F)(F)F)C2)CC1=O
InChIInChI=1S/C13H19F3N2O2/c1-17-6-4-9(7-11(17)19)12(20)18-5-2-3-10(8-18)13(14,15)16/h9-10H,2-8H2,1H3
InChIKeyXYOADQSJCDHAJW-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.66
Rot. Bonds1

About 1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one

1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 128926278) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID128926278
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCN1CCC(C(=O)N2CCCC(C(F)(F)F)C2)CC1=O
InChIInChI=1S/C13H19F3N2O2/c1-17-6-4-9(7-11(17)19)12(20)18-5-2-3-10(8-18)13(14,15)16/h9-10H,2-8H2,1H3
InChIKeyXYOADQSJCDHAJW-UHFFFAOYSA-N
XLogP1.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one (CID 128926278) is 1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one is CN1CCC(C(=O)N2CCCC(C(F)(F)F)C2)CC1=O.
What is the InChIKey of 1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is XYOADQSJCDHAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-17-6-4-9(7-11(17)19)12(20)18-5-2-3-10(8-18)13(14,15)16/h9-10H,2-8H2,1H3.
What are the key properties of 1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one?
1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 292.30 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 128926278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).