3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one

C20H26FN3O2 — CID 110612093

IUPAC3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one
SMILESCc1nnc(C2CCN(C(=O)CC(c3ccc(F)cc3)C(C)C)CC2)o1
InChIInChI=1S/C20H26FN3O2/c1-13(2)18(15-4-6-17(21)7-5-15)12-19(25)24-10-8-16(9-11-24)20-23-22-14(3)26-20/h4-7,13,16,18H,8-12H2,1-3H3
InChIKeyHRVFQDPDJTWOFC-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.05
Rot. Bonds5

About 3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one

3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one (PubChem CID 110612093) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one
PubChem CID110612093
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one
SMILESCc1nnc(C2CCN(C(=O)CC(c3ccc(F)cc3)C(C)C)CC2)o1
InChIInChI=1S/C20H26FN3O2/c1-13(2)18(15-4-6-17(21)7-5-15)12-19(25)24-10-8-16(9-11-24)20-23-22-14(3)26-20/h4-7,13,16,18H,8-12H2,1-3H3
InChIKeyHRVFQDPDJTWOFC-UHFFFAOYSA-N
XLogP4.05
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one 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 3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one (CID 110612093) is 3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one is Cc1nnc(C2CCN(C(=O)CC(c3ccc(F)cc3)C(C)C)CC2)o1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is HRVFQDPDJTWOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-13(2)18(15-4-6-17(21)7-5-15)12-19(25)24-10-8-16(9-11-24)20-23-22-14(3)26-20/h4-7,13,16,18H,8-12H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one?
3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 359.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 110612093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).