N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C24H27FN4O2 — CID 91800660

IUPACN-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(CC3CCCN(Cc4cccc(F)c4C)C3)n2)cc1
InChIInChI=1S/C24H27FN4O2/c1-16-20(6-3-7-22(16)25)15-29-12-4-5-18(14-29)13-23-27-24(28-31-23)19-8-10-21(11-9-19)26-17(2)30/h3,6-11,18H,4-5,12-15H2,1-2H3,(H,26,30)
InChIKeyXFSYGJBPBTWLFR-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.60
Rot. Bonds6

About N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 91800660) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID91800660
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(CC3CCCN(Cc4cccc(F)c4C)C3)n2)cc1
InChIInChI=1S/C24H27FN4O2/c1-16-20(6-3-7-22(16)25)15-29-12-4-5-18(14-29)13-23-27-24(28-31-23)19-8-10-21(11-9-19)26-17(2)30/h3,6-11,18H,4-5,12-15H2,1-2H3,(H,26,30)
InChIKeyXFSYGJBPBTWLFR-UHFFFAOYSA-N
XLogP4.60
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide 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-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 91800660) is N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2noc(CC3CCCN(Cc4cccc(F)c4C)C3)n2)cc1.
What is the InChIKey of N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is XFSYGJBPBTWLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-16-20(6-3-7-22(16)25)15-29-12-4-5-18(14-29)13-23-27-24(28-31-23)19-8-10-21(11-9-19)26-17(2)30/h3,6-11,18H,4-5,12-15H2,1-2H3,(H,26,30).
What are the key properties of N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 422.50 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 91800660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).