2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

C15H23F3N2O3 — CID 110869914

IUPAC2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOCC1CCCN(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)C1
InChIInChI=1S/C15H23F3N2O3/c1-23-10-11-3-2-6-20(9-11)13(21)12-4-7-19(8-5-12)14(22)15(16,17)18/h11-12H,2-10H2,1H3
InChIKeyORBGSZQIIWHXMU-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.67
Rot. Bonds3

About 2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110869914) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110869914
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOCC1CCCN(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)C1
InChIInChI=1S/C15H23F3N2O3/c1-23-10-11-3-2-6-20(9-11)13(21)12-4-7-19(8-5-12)14(22)15(16,17)18/h11-12H,2-10H2,1H3
InChIKeyORBGSZQIIWHXMU-UHFFFAOYSA-N
XLogP1.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 110869914) is 2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is COCC1CCCN(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)C1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is ORBGSZQIIWHXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-23-10-11-3-2-6-20(9-11)13(21)12-4-7-19(8-5-12)14(22)15(16,17)18/h11-12H,2-10H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 336.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110869914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).