3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

C21H25F3N2O3 — CID 45219731

IUPAC3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCC1CCCN(Cc2ccc(CO)o2)C1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H25F3N2O3/c22-21(23,24)16-4-6-17(7-5-16)25-20(28)10-3-15-2-1-11-26(12-15)13-18-8-9-19(14-27)29-18/h4-9,15,27H,1-3,10-14H2,(H,25,28)
InChIKeyVNSHOZIZKFPSPS-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.42
Rot. Bonds7

About 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 45219731) has the molecular formula C21H25F3N2O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID45219731
Molecular FormulaC21H25F3N2O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC Name3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCC1CCCN(Cc2ccc(CO)o2)C1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H25F3N2O3/c22-21(23,24)16-4-6-17(7-5-16)25-20(28)10-3-15-2-1-11-26(12-15)13-18-8-9-19(14-27)29-18/h4-9,15,27H,1-3,10-14H2,(H,25,28)
InChIKeyVNSHOZIZKFPSPS-UHFFFAOYSA-N
XLogP4.42
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide 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

3-[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97279744
3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97284094
3-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42456464
3-[(3R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97281937
3-[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42513881
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45227276
N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 42358991
3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97271885
3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26315418
3-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45186780
3-[1-(2-acetylbenzoyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 70720941
3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45232912

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 45219731) is 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCC1CCCN(Cc2ccc(CO)o2)C1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VNSHOZIZKFPSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O3/c22-21(23,24)16-4-6-17(7-5-16)25-20(28)10-3-15-2-1-11-26(12-15)13-18-8-9-19(14-27)29-18/h4-9,15,27H,1-3,10-14H2,(H,25,28).
What are the key properties of 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 410.44 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 45219731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).