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

C25H27FN4O4 — CID 70644405

IUPACN-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide
SMILESCC(C)c1noc(=O)n1CC(=O)N1CCC(C(=O)Nc2cccc(-c3ccccc3F)c2)CC1
InChIInChI=1S/C25H27FN4O4/c1-16(2)23-28-34-25(33)30(23)15-22(31)29-12-10-17(11-13-29)24(32)27-19-7-5-6-18(14-19)20-8-3-4-9-21(20)26/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,27,32)
InChIKeyFKXSYEBJOQWSIG-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.64
Rot. Bonds6

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

N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide (PubChem CID 70644405) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide
PubChem CID70644405
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC NameN-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide
SMILESCC(C)c1noc(=O)n1CC(=O)N1CCC(C(=O)Nc2cccc(-c3ccccc3F)c2)CC1
InChIInChI=1S/C25H27FN4O4/c1-16(2)23-28-34-25(33)30(23)15-22(31)29-12-10-17(11-13-29)24(32)27-19-7-5-6-18(14-19)20-8-3-4-9-21(20)26/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,27,32)
InChIKeyFKXSYEBJOQWSIG-UHFFFAOYSA-N
XLogP3.64
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide (CID 70644405) is N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide is CC(C)c1noc(=O)n1CC(=O)N1CCC(C(=O)Nc2cccc(-c3ccccc3F)c2)CC1.
What is the InChIKey of N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is FKXSYEBJOQWSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-16(2)23-28-34-25(33)30(23)15-22(31)29-12-10-17(11-13-29)24(32)27-19-7-5-6-18(14-19)20-8-3-4-9-21(20)26/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,27,32).
What are the key properties of N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide?
N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 70644405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).