N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide

C21H25F3N2O3 — CID 26334003

IUPACN-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESCOCc1ccc(CN2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)o1
InChIInChI=1S/C21H25F3N2O3/c1-28-14-19-8-7-18(29-19)13-26-9-3-4-15(12-26)11-25-20(27)16-5-2-6-17(10-16)21(22,23)24/h2,5-8,10,15H,3-4,9,11-14H2,1H3,(H,25,27)/t15-/m1/s1
InChIKeyHXVVWPIBGDADIV-OAHLLOKOSA-N
MW410.44 g/mol
LogP4.09
Rot. Bonds7

About N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide

N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 26334003) has the molecular formula C21H25F3N2O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID26334003
Molecular FormulaC21H25F3N2O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC NameN-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESCOCc1ccc(CN2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)o1
InChIInChI=1S/C21H25F3N2O3/c1-28-14-19-8-7-18(29-19)13-26-9-3-4-15(12-26)11-25-20(27)16-5-2-6-17(10-16)21(22,23)24/h2,5-8,10,15H,3-4,9,11-14H2,1H3,(H,25,27)/t15-/m1/s1
InChIKeyHXVVWPIBGDADIV-OAHLLOKOSA-N
XLogP4.09
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide 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

2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide
CID 25374410
N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide
CID 45237908
4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 42348231
4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
CID 42356810
(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 42482466
N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethyl)benzamide
CID 69471068
3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine
CID 45210868
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 26399178
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
N-[[1-(thian-4-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzamide
CID 91814223
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90567503
3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44526052

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide (CID 26334003) is N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide is COCc1ccc(CN2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)o1.
What is the InChIKey of N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HXVVWPIBGDADIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25F3N2O3/c1-28-14-19-8-7-18(29-19)13-26-9-3-4-15(12-26)11-25-20(27)16-5-2-6-17(10-16)21(22,23)24/h2,5-8,10,15H,3-4,9,11-14H2,1H3,(H,25,27)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide?
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 410.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 26334003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).