5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

C21H27F3N2O3 — CID 24794332

IUPAC5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESCOCC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C21H27F3N2O3/c1-29-14-15-7-9-25(10-8-15)20(28)17-5-6-19(27)26(13-17)12-16-3-2-4-18(11-16)21(22,23)24/h2-4,11,15,17H,5-10,12-14H2,1H3
InChIKeyRVFSVEQCDXYNNQ-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.33
Rot. Bonds5

About 5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (PubChem CID 24794332) has the molecular formula C21H27F3N2O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
PubChem CID24794332
Molecular FormulaC21H27F3N2O3
Molecular Weight412.45 g/mol
Exact Mass412.20
IUPAC Name5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESCOCC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C21H27F3N2O3/c1-29-14-15-7-9-25(10-8-15)20(28)17-5-6-19(27)26(13-17)12-16-3-2-4-18(11-16)21(22,23)24/h2-4,11,15,17H,5-10,12-14H2,1H3
InChIKeyRVFSVEQCDXYNNQ-UHFFFAOYSA-N
XLogP3.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (CID 24794332) is 5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is COCC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The InChIKey is RVFSVEQCDXYNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O3/c1-29-14-15-7-9-25(10-8-15)20(28)17-5-6-19(27)26(13-17)12-16-3-2-4-18(11-16)21(22,23)24/h2-4,11,15,17H,5-10,12-14H2,1H3.
What are the key properties of 5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one has a molecular weight of 412.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)piperidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 24794332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).