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

C21H20ClFN4O2 — CID 53166834

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H20ClFN4O2/c22-18-12-17(23)7-6-16(18)13-24-19(28)14-8-10-27(11-9-14)21-26-25-20(29-21)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,24,28)
InChIKeyJBMZRKZVLMMHND-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.06
Rot. Bonds5

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

N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 53166834) has the molecular formula C21H20ClFN4O2 and a molecular weight of 414.87 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
PubChem CID53166834
Molecular FormulaC21H20ClFN4O2
Molecular Weight414.87 g/mol
Exact Mass414.13
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H20ClFN4O2/c22-18-12-17(23)7-6-16(18)13-24-19(28)14-8-10-27(11-9-14)21-26-25-20(29-21)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,24,28)
InChIKeyJBMZRKZVLMMHND-UHFFFAOYSA-N
XLogP4.06
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide (CID 53166834) is N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1Cl)C1CCN(c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is JBMZRKZVLMMHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O2/c22-18-12-17(23)7-6-16(18)13-24-19(28)14-8-10-27(11-9-14)21-26-25-20(29-21)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,24,28).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 414.87 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53166834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).