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

C21H20ClFN4O2 — CID 53166833

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H20ClFN4O2/c22-17-12-14(6-7-18(17)23)13-24-19(28)15-8-10-27(11-9-15)21-26-25-20(29-21)16-4-2-1-3-5-16/h1-7,12,15H,8-11,13H2,(H,24,28)
InChIKeyOSHZUVLGSGMFEQ-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.06
Rot. Bonds5

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

N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 53166833) has the molecular formula C21H20ClFN4O2 and a molecular weight of 414.87 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
PubChem CID53166833
Molecular FormulaC21H20ClFN4O2
Molecular Weight414.87 g/mol
Exact Mass414.13
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H20ClFN4O2/c22-17-12-14(6-7-18(17)23)13-24-19(28)15-8-10-27(11-9-15)21-26-25-20(29-21)16-4-2-1-3-5-16/h1-7,12,15H,8-11,13H2,(H,24,28)
InChIKeyOSHZUVLGSGMFEQ-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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide (CID 53166833) is N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)C1CCN(c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is OSHZUVLGSGMFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O2/c22-17-12-14(6-7-18(17)23)13-24-19(28)15-8-10-27(11-9-15)21-26-25-20(29-21)16-4-2-1-3-5-16/h1-7,12,15H,8-11,13H2,(H,24,28).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
N-[(3-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-[(3-chloro-4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53166833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).