N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide

C21H25F3N2O3 — CID 121126883

IUPACN-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESCc1cc(CN2CCC(CNC(=O)c3ccc(OC(F)(F)F)cc3)CC2)c(C)o1
InChIInChI=1S/C21H25F3N2O3/c1-14-11-18(15(2)28-14)13-26-9-7-16(8-10-26)12-25-20(27)17-3-5-19(6-4-17)29-21(22,23)24/h3-6,11,16H,7-10,12-13H2,1-2H3,(H,25,27)
InChIKeyJXYOPCUMYWKAPU-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.44
Rot. Bonds6

About N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide

N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 121126883) has the molecular formula C21H25F3N2O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID121126883
Molecular FormulaC21H25F3N2O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC NameN-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESCc1cc(CN2CCC(CNC(=O)c3ccc(OC(F)(F)F)cc3)CC2)c(C)o1
InChIInChI=1S/C21H25F3N2O3/c1-14-11-18(15(2)28-14)13-26-9-7-16(8-10-26)12-25-20(27)17-3-5-19(6-4-17)29-21(22,23)24/h3-6,11,16H,7-10,12-13H2,1-2H3,(H,25,27)
InChIKeyJXYOPCUMYWKAPU-UHFFFAOYSA-N
XLogP4.44
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(2-methoxyethyl)urea
CID 121057629
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 121057623
1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea
CID 91812785
N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 100682756
N-[[1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796797
N'-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 121056458
4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 94815305
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 52785552
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 102736546
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide
CID 121056475
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide (CID 121126883) is N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide is Cc1cc(CN2CCC(CNC(=O)c3ccc(OC(F)(F)F)cc3)CC2)c(C)o1.
What is the InChIKey of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is JXYOPCUMYWKAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O3/c1-14-11-18(15(2)28-14)13-26-9-7-16(8-10-26)12-25-20(27)17-3-5-19(6-4-17)29-21(22,23)24/h3-6,11,16H,7-10,12-13H2,1-2H3,(H,25,27).
What are the key properties of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 410.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 121126883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).