N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide

C21H21FN4O2 — CID 133482179

IUPACN-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H21FN4O2/c22-18-8-6-15(7-9-18)14-23-19(27)16-10-12-26(13-11-16)21-24-20(28-25-21)17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,23,27)
InChIKeyWFQBPBFTHPWRRO-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.41
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide (PubChem CID 133482179) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
PubChem CID133482179
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H21FN4O2/c22-18-8-6-15(7-9-18)14-23-19(27)16-10-12-26(13-11-16)21-24-20(28-25-21)17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,23,27)
InChIKeyWFQBPBFTHPWRRO-UHFFFAOYSA-N
XLogP3.41
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide 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

N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 53166857
N-(1-ethylpyrazol-4-yl)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
CID 133483510
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 133370734
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 50814511
(3R)-N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95826652
N-[(4-ethylphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 53166866
1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 133318639
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115433
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119626

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide (CID 133482179) is N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(c2noc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide?
The InChIKey is WFQBPBFTHPWRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-18-8-6-15(7-9-18)14-23-19(27)16-10-12-26(13-11-16)21-24-20(28-25-21)17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,23,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 133482179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).