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

C23H25FN4O3 — CID 53167032

IUPACN-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NC(C)c4ccc(F)cc4)CC3)o2)cc1
InChIInChI=1S/C23H25FN4O3/c1-15(16-3-7-19(24)8-4-16)25-21(29)17-11-13-28(14-12-17)23-27-26-22(31-23)18-5-9-20(30-2)10-6-18/h3-10,15,17H,11-14H2,1-2H3,(H,25,29)
InChIKeyMHFGULXHUIFOOZ-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.98
Rot. Bonds6

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

N-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53167032) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID53167032
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NC(C)c4ccc(F)cc4)CC3)o2)cc1
InChIInChI=1S/C23H25FN4O3/c1-15(16-3-7-19(24)8-4-16)25-21(29)17-11-13-28(14-12-17)23-27-26-22(31-23)18-5-9-20(30-2)10-6-18/h3-10,15,17H,11-14H2,1-2H3,(H,25,29)
InChIKeyMHFGULXHUIFOOZ-UHFFFAOYSA-N
XLogP3.98
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-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-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53167032) is N-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NC(C)c4ccc(F)cc4)CC3)o2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is MHFGULXHUIFOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-15(16-3-7-19(24)8-4-16)25-21(29)17-11-13-28(14-12-17)23-27-26-22(31-23)18-5-9-20(30-2)10-6-18/h3-10,15,17H,11-14H2,1-2H3,(H,25,29).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53167032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).