N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide

C20H24FN3O2S — CID 71842229

IUPACN-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C20H24FN3O2S/c1-2-18(25)22-12-17-13-27-20(23-17)15-6-8-24(9-7-15)19(26)11-14-4-3-5-16(21)10-14/h3-5,10,13,15H,2,6-9,11-12H2,1H3,(H,22,25)
InChIKeyAGXKCTYQIFVDHI-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.26
Rot. Bonds6

About N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide

N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 71842229) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID71842229
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC NameN-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C20H24FN3O2S/c1-2-18(25)22-12-17-13-27-20(23-17)15-6-8-24(9-7-15)19(26)11-14-4-3-5-16(21)10-14/h3-5,10,13,15H,2,6-9,11-12H2,1H3,(H,22,25)
InChIKeyAGXKCTYQIFVDHI-UHFFFAOYSA-N
XLogP3.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide 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 N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide (CID 71842229) is N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide is CCC(=O)NCc1csc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)n1.
What is the InChIKey of N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is AGXKCTYQIFVDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-2-18(25)22-12-17-13-27-20(23-17)15-6-8-24(9-7-15)19(26)11-14-4-3-5-16(21)10-14/h3-5,10,13,15H,2,6-9,11-12H2,1H3,(H,22,25).
What are the key properties of N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 389.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 71842229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).