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

C18H23FN4O2 — CID 45215418

IUPACN-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(Cc2nc(Cc3ccccc3F)no2)C1
InChIInChI=1S/C18H23FN4O2/c1-13(24)20-10-14-5-4-8-23(11-14)12-18-21-17(22-25-18)9-15-6-2-3-7-16(15)19/h2-3,6-7,14H,4-5,8-12H2,1H3,(H,20,24)
InChIKeyHVAFCWKRRDYMFC-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.15
Rot. Bonds6

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

N-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide (PubChem CID 45215418) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide
PubChem CID45215418
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(Cc2nc(Cc3ccccc3F)no2)C1
InChIInChI=1S/C18H23FN4O2/c1-13(24)20-10-14-5-4-8-23(11-14)12-18-21-17(22-25-18)9-15-6-2-3-7-16(15)19/h2-3,6-7,14H,4-5,8-12H2,1H3,(H,20,24)
InChIKeyHVAFCWKRRDYMFC-UHFFFAOYSA-N
XLogP2.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]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-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide (CID 45215418) is N-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(Cc2nc(Cc3ccccc3F)no2)C1.
What is the InChIKey of N-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is HVAFCWKRRDYMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13(24)20-10-14-5-4-8-23(11-14)12-18-21-17(22-25-18)9-15-6-2-3-7-16(15)19/h2-3,6-7,14H,4-5,8-12H2,1H3,(H,20,24).
What are the key properties of N-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide?
N-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 45215418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).